6-chloro-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide

C13H9ClN4O — CID 89292810

IUPAC6-chloro-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2cc(Cl)ncn2)cc1
InChIInChI=1S/C13H9ClN4O/c14-12-5-11(17-8-18-12)13(19)16-7-10-3-1-9(6-15)2-4-10/h1-5,8H,7H2,(H,16,19)
InChIKeyYLXCVSZFVROLHM-UHFFFAOYSA-N
MW272.70 g/mol
LogP1.93
Rot. Bonds3

About 6-chloro-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide

6-chloro-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 89292810) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is 6-chloro-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide
PubChem CID89292810
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC Name6-chloro-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2cc(Cl)ncn2)cc1
InChIInChI=1S/C13H9ClN4O/c14-12-5-11(17-8-18-12)13(19)16-7-10-3-1-9(6-15)2-4-10/h1-5,8H,7H2,(H,16,19)
InChIKeyYLXCVSZFVROLHM-UHFFFAOYSA-N
XLogP1.93
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide 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

6-amino-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide;ethane
CID 143601893
6-N-benzyl-4-N-[(4-cyanophenyl)-dideuteriomethyl]pyrimidine-4,6-dicarboxamide
CID 118410976
N-[(4-cyanophenyl)methyl]-6-[(2-phenylacetyl)amino]pyrimidine-4-carboxamide
CID 70306936
6-N-benzyl-4-N-[(4-cyanophenyl)-dihydroxymethyl]pyrimidine-4,6-dicarboxamide
CID 144609991
3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-carboxamide
CID 60736617
N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide
CID 110471356
N-[(4-cyanophenyl)methyl]-5-(methylamino)pyridine-2-carboxamide
CID 104641090
N-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide
CID 109190063
N-[(4-chlorophenyl)methyl]-6-[(4-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348666
N-[(4-chlorophenyl)methyl]-2-(4-cyanoanilino)-6-methylpyrimidine-4-carboxamide
CID 109329082
4-N-(4-cyanophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087689
5-chloro-N-[(4-cyanophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide
CID 62269659

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-chloro-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide (CID 89292810) is 6-chloro-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-chloro-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide is N#Cc1ccc(CNC(=O)c2cc(Cl)ncn2)cc1.
What is the InChIKey of 6-chloro-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is YLXCVSZFVROLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c14-12-5-11(17-8-18-12)13(19)16-7-10-3-1-9(6-15)2-4-10/h1-5,8H,7H2,(H,16,19).
What are the key properties of 6-chloro-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide?
6-chloro-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 272.70 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 89292810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).