N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide

C13H12ClN3O — CID 102979543

IUPACN-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide
SMILESCc1cnc(Cl)c(NC(=O)c2cccc(C)n2)c1
InChIInChI=1S/C13H12ClN3O/c1-8-6-11(12(14)15-7-8)17-13(18)10-5-3-4-9(2)16-10/h3-7H,1-2H3,(H,17,18)
InChIKeyKHBCBONRKCZWKU-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.00
Rot. Bonds2

About N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide

N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide (PubChem CID 102979543) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide
PubChem CID102979543
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC NameN-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide
SMILESCc1cnc(Cl)c(NC(=O)c2cccc(C)n2)c1
InChIInChI=1S/C13H12ClN3O/c1-8-6-11(12(14)15-7-8)17-13(18)10-5-3-4-9(2)16-10/h3-7H,1-2H3,(H,17,18)
InChIKeyKHBCBONRKCZWKU-UHFFFAOYSA-N
XLogP3.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-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-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 102979134
N-(2-chloro-5-methyl-3-pyridinyl)naphthalene-1-carboxamide
CID 102979737
N-(2-chloro-5-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 102979687
N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-2-carboxamide
CID 60727615
N-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide
CID 102979790
N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 31759188
N-(4-amino-2-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 16785445
2,5-dichloro-N-(2-chloro-5-methyl-3-pyridinyl)thiophene-3-carboxamide
CID 102979594
N-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide
CID 102979678
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
N-(2-iodophenyl)-6-methylpyridine-2-carboxamide
CID 31700169
N-(5-chloropyrazin-2-yl)-6-methylpyridine-2-carboxamide
CID 104964202

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide (CID 102979543) is N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide is Cc1cnc(Cl)c(NC(=O)c2cccc(C)n2)c1.
What is the InChIKey of N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide?
The InChIKey is KHBCBONRKCZWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-8-6-11(12(14)15-7-8)17-13(18)10-5-3-4-9(2)16-10/h3-7H,1-2H3,(H,17,18).
What are the key properties of N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide?
N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide has a molecular weight of 261.71 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 102979543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).