5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide

C13H12ClN3O — CID 167928774

IUPAC5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cn2)cc(C)n1
InChIInChI=1S/C13H12ClN3O/c1-8-5-11(6-9(2)16-8)17-13(18)12-4-3-10(14)7-15-12/h3-7H,1-2H3,(H,16,17,18)
InChIKeyRAAGRSDBTUQOPI-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.00
Rot. Bonds2

About 5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide

5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide (PubChem CID 167928774) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide
PubChem CID167928774
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cn2)cc(C)n1
InChIInChI=1S/C13H12ClN3O/c1-8-5-11(6-9(2)16-8)17-13(18)12-4-3-10(14)7-15-12/h3-7H,1-2H3,(H,16,17,18)
InChIKeyRAAGRSDBTUQOPI-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

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Related Compounds

5-chloro-N-(3-iodo-4-methylphenyl)pyridine-2-carboxamide
CID 113238388
N-(3,5-dichlorophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639754
N-(4-amino-2,5-dimethylphenyl)-5-chloropyridine-2-carboxamide
CID 103144520
5-chloro-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
CID 90238140
5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide
CID 106834852
4-bromo-N-(5-chloro-2-pyridinyl)-6-methylpyridine-2-carboxamide
CID 67164027
5-chloro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-2-carboxamide
CID 77037502
N-(5-chloro-2-pyridinyl)-4-isocyano-6-methylpyridine-2-carboxamide
CID 59479371
N-(5-chloro-2-pyridinyl)-5-(methylamino)pyridine-2-carboxamide
CID 104640066
methyl 5-chloropyridine-2-carboxylate
CID 11298216
5-chloro-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyridine-2-carboxamide
CID 71973119
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide (CID 167928774) is 5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide is Cc1cc(NC(=O)c2ccc(Cl)cn2)cc(C)n1.
What is the InChIKey of 5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide?
The InChIKey is RAAGRSDBTUQOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-8-5-11(6-9(2)16-8)17-13(18)12-4-3-10(14)7-15-12/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of 5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide?
5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-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 5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 167928774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).