EcoDrugPlus


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

Keyword(s):

Human Metabolites

Molecule Category

Free-form


InChI Key	NPBSJIBSVYXQHN-QMMMGPOBSA-N
Smiles	O=C(NCCc1ncc[nH]1)[C@@H]1CCCN1
InChI	InChI=1S/C10H16N4O/c15-10(8-2-1-4-11-8)14-5-3-9-12-6-7-13-9/h6-8,11H,1-5H2,(H,12,13)(H,14,15)/t8-/m0/s1

InChI Key

NPBSJIBSVYXQHN-QMMMGPOBSA-N

Smiles

O=C(NCCc1ncc[nH]1)[C@@H]1CCCN1

InChI

InChI=1S/C10H16N4O/c15-10(8-2-1-4-11-8)14-5-3-9-12-6-7-13-9/h6-8,11H,1-5H2,(H,12,13)(H,14,15)/t8-/m0/s1

Property Name	Value
Molecular Formula	C10H16N4O1
Molecular Weight	208.13
AlogP	0.66
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	4.0
Polar Surface Area	73.3
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C10H16N4O1

Molecular Weight

208.13

AlogP

0.66

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

4.0

Polar Surface Area

73.3

Heavy Atoms

15.0

Resources	Reference
NORMAN SUSDAT
PubChem	57509101
ChemSpider	50038185.0

Resources

Reference

NORMAN SUSDAT

PubChem

57509101

ChemSpider

50038185.0

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...

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Last update: Monday, 3 November 2025

(2S)-N-[2-(1H-IMIDAZOL-2-YL)ETHYL]PYRROLIDINE-2-CARBOXAMIDE

Structure

Physicochemical Descriptors

Cross References