(2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone

C17H13ClN4O — CID 134539198

IUPAC(2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NCc2cccnc2)nc1)c1ccccc1Cl
InChIInChI=1S/C17H13ClN4O/c18-15-6-2-1-5-14(15)16(23)13-10-21-17(22-11-13)20-9-12-4-3-7-19-8-12/h1-8,10-11H,9H2,(H,20,21,22)
InChIKeyQLEBCZCOYOABML-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.37
Rot. Bonds5

About (2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone

(2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone (PubChem CID 134539198) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is (2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone
PubChem CID134539198
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name(2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NCc2cccnc2)nc1)c1ccccc1Cl
InChIInChI=1S/C17H13ClN4O/c18-15-6-2-1-5-14(15)16(23)13-10-21-17(22-11-13)20-9-12-4-3-7-19-8-12/h1-8,10-11H,9H2,(H,20,21,22)
InChIKeyQLEBCZCOYOABML-UHFFFAOYSA-N
XLogP3.37
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109258997
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
(2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanol
CID 134560647
N-(3-chlorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259024
2,6-dichloro-N-(pyridin-3-ylmethyl)aniline
CID 913968
5-bromo-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 63873980
2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide
CID 109255455
N-(2,4-dichlorophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157918
2-(pyridin-3-ylmethylamino)benzoic acid;dihydrochloride
CID 17059960
5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
CID 2995794
N-(2-chlorophenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109349914
1-(2-chlorophenyl)-3-pyridin-3-ylpropan-1-one
CID 105081413

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone (CID 134539198) is (2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone is O=C(c1cnc(NCc2cccnc2)nc1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone?
The InChIKey is QLEBCZCOYOABML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c18-15-6-2-1-5-14(15)16(23)13-10-21-17(22-11-13)20-9-12-4-3-7-19-8-12/h1-8,10-11H,9H2,(H,20,21,22).
What are the key properties of (2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone?
(2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone has a molecular weight of 324.77 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 134539198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).