6-chloro-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide

C12H10ClN3O — CID 63327625

IUPAC6-chloro-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
SMILESCc1ccncc1NC(=O)c1cccc(Cl)n1
InChIInChI=1S/C12H10ClN3O/c1-8-5-6-14-7-10(8)16-12(17)9-3-2-4-11(13)15-9/h2-7H,1H3,(H,16,17)
InChIKeyPBFLGKGMRBRLCK-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.69
Rot. Bonds2

About 6-chloro-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide

6-chloro-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 63327625) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 6-chloro-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID63327625
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name6-chloro-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
SMILESCc1ccncc1NC(=O)c1cccc(Cl)n1
InChIInChI=1S/C12H10ClN3O/c1-8-5-6-14-7-10(8)16-12(17)9-3-2-4-11(13)15-9/h2-7H,1H3,(H,16,17)
InChIKeyPBFLGKGMRBRLCK-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

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[4-(dimethylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 55052253
5-fluoro-6-methyl-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 146080352
N-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide
CID 62235289
2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 155976888
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
6-chloro-N-quinolin-8-ylpyridine-2-carboxamide
CID 62235243
4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid
CID 62239229
2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane
CID 144842731
2-hydroxy-N-(4-methyl-3-pyridinyl)benzamide
CID 63327806
methyl N-(4-methyl-3-pyridinyl)carbamate
CID 11672725
N-(4-chloro-3-pyridinyl)-2,6-dimethylbenzamide
CID 103769247
6-(methylamino)-N-(4-methyl-3-pyridinyl)pyridazine-3-carboxamide
CID 55203049

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide (CID 63327625) is 6-chloro-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide is Cc1ccncc1NC(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is PBFLGKGMRBRLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c1-8-5-6-14-7-10(8)16-12(17)9-3-2-4-11(13)15-9/h2-7H,1H3,(H,16,17).
What are the key properties of 6-chloro-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide?
6-chloro-N-(4-methyl-3-pyridinyl)pyridine-2-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 6-chloro-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 63327625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).