N-(2-chloro-6-methylphenyl)pyrimidine-4-carboxamide

C12H10ClN3O — CID 141229709

IUPACN-(2-chloro-6-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1ccncn1
InChIInChI=1S/C12H10ClN3O/c1-8-3-2-4-9(13)11(8)16-12(17)10-5-6-14-7-15-10/h2-7H,1H3,(H,16,17)
InChIKeyGFGPQSRRVCQSHW-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.69
Rot. Bonds2

About N-(2-chloro-6-methylphenyl)pyrimidine-4-carboxamide

N-(2-chloro-6-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 141229709) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)pyrimidine-4-carboxamide
PubChem CID141229709
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC NameN-(2-chloro-6-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1ccncn1
InChIInChI=1S/C12H10ClN3O/c1-8-3-2-4-9(13)11(8)16-12(17)10-5-6-14-7-15-10/h2-7H,1H3,(H,16,17)
InChIKeyGFGPQSRRVCQSHW-UHFFFAOYSA-N
XLogP2.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-chloro-6-methylphenyl)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

N-(2-chloro-6-methylphenyl)-3-hydroxypyridine-4-carboxamide
CID 81442693
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66255718
5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide
CID 66255147
6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 66254491
5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide
CID 107376052
N-(2-chloro-6-methylphenyl)-4-hydrazinylpyridine-2-carboxamide
CID 66256413
N-(2,6-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756385
N-(2,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350185
2-chloro-6-methyl-N-pyridin-4-ylbenzamide
CID 59618146
4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide
CID 721211
N-(2-chloro-6-methylphenyl)thiophene-2-carboxamide
CID 66254505

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)pyrimidine-4-carboxamide (CID 141229709) is N-(2-chloro-6-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)pyrimidine-4-carboxamide is Cc1cccc(Cl)c1NC(=O)c1ccncn1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is GFGPQSRRVCQSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c1-8-3-2-4-9(13)11(8)16-12(17)10-5-6-14-7-15-10/h2-7H,1H3,(H,16,17).
What are the key properties of N-(2-chloro-6-methylphenyl)pyrimidine-4-carboxamide?
N-(2-chloro-6-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 247.69 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 141229709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).