EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2SPH0QPC4V

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2SPH0QPC4V


InChI Key	UFJFKQGRZLHOBO-UHFFFAOYSA-N
Smiles	CN1CCCC1=NC(=Nc2ccccc2)N3CCCC3
InChI	InChI=1S/C16H22N4/c1-19-11-7-10-15(19)18-16(20-12-5-6-13-20)17-14-8-3-2-4-9-14/h2-4,8-9H,5-7,10-13H2,1H3

InChI Key

UFJFKQGRZLHOBO-UHFFFAOYSA-N

Smiles

CN1CCCC1=NC(=Nc2ccccc2)N3CCCC3

InChI

InChI=1S/C16H22N4/c1-19-11-7-10-15(19)18-16(20-12-5-6-13-20)17-14-8-3-2-4-9-14/h2-4,8-9H,5-7,10-13H2,1H3

Property Name	Value
Molecular Formula	C16H22N4
Molecular Weight	270.18
AlogP	2.89
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	31.2
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C16H22N4

Molecular Weight

270.18

AlogP

2.89

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

31.2

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	62625-18-7
NORMAN SUSDAT
FDA SRS	2SPH0QPC4V

Resources

Reference

CAS NUMBER

62625-18-7

NORMAN SUSDAT

FDA SRS

2SPH0QPC4V

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...

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Last update: Monday, 3 November 2025

PIROGLIRIDE

Structure

Physicochemical Descriptors

Cross References