EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2U2OXG6O70
EPA CompTox	DTXSID50158606

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2U2OXG6O70

EPA CompTox

DTXSID50158606


InChI Key	NTPIQBSWTZGMTC-UHFFFAOYSA-N
Smiles	CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cccnc2)cc1
InChI	InChI=1S/C19H23N3O3/c1-3-22(4-2)12-13-25-19(24)15-7-9-17(10-8-15)21-18(23)16-6-5-11-20-14-16/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,23)

InChI Key

NTPIQBSWTZGMTC-UHFFFAOYSA-N

Smiles

CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cccnc2)cc1

InChI

InChI=1S/C19H23N3O3/c1-3-22(4-2)12-13-25-19(24)15-7-9-17(10-8-15)21-18(23)16-6-5-11-20-14-16/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,23)

Property Name	Value
Molecular Formula	C19H23N3O3
Molecular Weight	341.17
AlogP	2.83
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	8.0
Polar Surface Area	71.53
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C19H23N3O3

Molecular Weight

341.17

AlogP

2.83

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

8.0

Polar Surface Area

71.53

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	13424-56-1
NORMAN SUSDAT
FDA SRS	2U2OXG6O70
PubChem	159667
ChemSpider	140387.0

Resources

Reference

CAS NUMBER

13424-56-1

NORMAN SUSDAT

FDA SRS

2U2OXG6O70

PubChem

159667

ChemSpider

140387.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

NICOTINOYLPROCAINE

Structure

Physicochemical Descriptors

Cross References