N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide

C13H11ClN2O — CID 676065

IUPACN-(3-chloro-2-methylphenyl)pyridine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cccnc1
InChIInChI=1S/C13H11ClN2O/c1-9-11(14)5-2-6-12(9)16-13(17)10-4-3-7-15-8-10/h2-8H,1H3,(H,16,17)
InChIKeyIGPVOZRRFGYTIH-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.30
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide

N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide (PubChem CID 676065) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)pyridine-3-carboxamide
PubChem CID676065
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC NameN-(3-chloro-2-methylphenyl)pyridine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cccnc1
InChIInChI=1S/C13H11ClN2O/c1-9-11(14)5-2-6-12(9)16-13(17)10-4-3-7-15-8-10/h2-8H,1H3,(H,16,17)
InChIKeyIGPVOZRRFGYTIH-UHFFFAOYSA-N
XLogP3.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Ica-27243
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N-(4-Chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide
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Benzamide, 2-chloro-N-4-pyridinyl-
CID 5121684
N-(3,4-Dichlorophenyl)-3-pyridinecarboxamide
CID 668892
N-(3-phenylpropyl)pyridine-3-carboxamide
CID 4648643
2-chloro-N-(pyridin-3-yl)benzamide
CID 587129
N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide
CID 771964
2,6-dichloro-N-(pyridin-4-yl)benzamide
CID 3120536
3-Pyridinecarboxylic acid, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 6862672
Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1)
CID 78774

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide (CID 676065) is N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cccnc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is IGPVOZRRFGYTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c1-9-11(14)5-2-6-12(9)16-13(17)10-4-3-7-15-8-10/h2-8H,1H3,(H,16,17).
What are the key properties of N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide?
N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide has a molecular weight of 246.70 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 676065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).