EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	L4Z49NN63K
EPA CompTox	DTXSID60211736

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

L4Z49NN63K

EPA CompTox

DTXSID60211736


InChI Key	FOQXHWCMYZXOGZ-UHFFFAOYSA-N
Smiles	O=C(Nc1ncccc1)Nc1ncccc1
InChI	InChI=1S/C11H10N4O/c16-11(14-9-5-1-3-7-12-9)15-10-6-2-4-8-13-10/h1-8H,(H2,12,13,14,15,16)

InChI Key

FOQXHWCMYZXOGZ-UHFFFAOYSA-N

Smiles

O=C(Nc1ncccc1)Nc1ncccc1

InChI

InChI=1S/C11H10N4O/c16-11(14-9-5-1-3-7-12-9)15-10-6-2-4-8-13-10/h1-8H,(H2,12,13,14,15,16)

Property Name	Value
Molecular Formula	C11H10N4O1
Molecular Weight	214.09
AlogP	2.13
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	70.4
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C11H10N4O1

Molecular Weight

214.09

AlogP

2.13

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

70.4

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	6268-43-5
NORMAN SUSDAT
FDA SRS	L4Z49NN63K
PubChem	80445
ChemSpider	72657.0

Resources

Reference

CAS NUMBER

6268-43-5

NORMAN SUSDAT

FDA SRS

L4Z49NN63K

PubChem

80445

ChemSpider

72657.0

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

1,3-DI-2-PYRIDYLUREA

Structure

Physicochemical Descriptors

Cross References