6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide

C13H11ClN2O2 — CID 18419424

IUPAC6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(Cl)nc2)c1
InChIInChI=1S/C13H11ClN2O2/c1-18-11-4-2-3-10(7-11)16-13(17)9-5-6-12(14)15-8-9/h2-8H,1H3,(H,16,17)
InChIKeyASXCWGAHQLUQBZ-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.00
Rot. Bonds3

About 6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide

6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 18419424) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide
PubChem CID18419424
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(Cl)nc2)c1
InChIInChI=1S/C13H11ClN2O2/c1-18-11-4-2-3-10(7-11)16-13(17)9-5-6-12(14)15-8-9/h2-8H,1H3,(H,16,17)
InChIKeyASXCWGAHQLUQBZ-UHFFFAOYSA-N
XLogP3.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.00
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

VU0361737
CID 44191096
2-(4-Chlorophenoxy)nicotinamide
CID 2774902
N-(3-methoxy-4-methylphenyl)picolinamide
CID 44191178
N-(3-methoxyphenyl)nicotinamide
CID 668900
N-(3-amino-5-pyridin-3-yloxyphenyl)-3-chlorobenzamide
CID 811100
N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 532821
N-(2,5-dimethoxyphenyl)nicotinamide
CID 532822
2-Chloro-N-(4-methoxyphenyl)-3-pyridinecarboxamide
CID 840301
2-(3-Chlorophenoxy)nicotinamide
CID 1211466
N-[4-(2-Chloro-benzyloxy)-phenyl]-nicotinamide
CID 803928
(E)-N-(2-chloropyridin-3-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 935096
{[2-(Difluoromethoxy)phenyl]carbamoyl}methyl 6-chloropyridine-3-carboxylate
CID 2395390

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide (CID 18419424) is 6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide is COc1cccc(NC(=O)c2ccc(Cl)nc2)c1.
What is the InChIKey of 6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is ASXCWGAHQLUQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-18-11-4-2-3-10(7-11)16-13(17)9-5-6-12(14)15-8-9/h2-8H,1H3,(H,16,17).
What are the key properties of 6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide?
6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 262.70 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 18419424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).