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

C13H11ClN2O — CID 2599141

IUPAC6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H11ClN2O/c1-9-4-2-3-5-11(9)16-13(17)10-6-7-12(14)15-8-10/h2-8H,1H3,(H,16,17)
InChIKeyZBNCDNGKENDMPF-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.30
Rot. Bonds2

About 6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide

6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide (PubChem CID 2599141) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
PubChem CID2599141
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H11ClN2O/c1-9-4-2-3-5-11(9)16-13(17)10-6-7-12(14)15-8-10/h2-8H,1H3,(H,16,17)
InChIKeyZBNCDNGKENDMPF-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

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 60655184
methyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate
CID 18273877
S-[2-[(6-chloropyridine-3-carbonyl)amino]phenyl] 2-methylpropanethioate
CID 145088928
6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 47475855
N-(2-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 47778991
6-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-carboxamide
CID 103769566
N-(2-methylphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide
CID 53014251
6-chloro-N-(2-methyl-3-nitrophenyl)pyridine-3-carboxamide
CID 9395574
6-[(2-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109156789
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide
CID 91312921
6-chloro-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 26243696

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide (CID 2599141) is 6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide is Cc1ccccc1NC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is ZBNCDNGKENDMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c1-9-4-2-3-5-11(9)16-13(17)10-6-7-12(14)15-8-10/h2-8H,1H3,(H,16,17).
What are the key properties of 6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide?
6-chloro-N-(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 6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 2599141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).