6-chloro-N-(3-imidazol-1-ylphenyl)pyridine-2-carboxamide

C15H11ClN4O — CID 62235091

IUPAC6-chloro-N-(3-imidazol-1-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-n2ccnc2)c1)c1cccc(Cl)n1
InChIInChI=1S/C15H11ClN4O/c16-14-6-2-5-13(19-14)15(21)18-11-3-1-4-12(9-11)20-8-7-17-10-20/h1-10H,(H,18,21)
InChIKeyOEXXHPWXIBJSKS-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.17
Rot. Bonds3

About 6-chloro-N-(3-imidazol-1-ylphenyl)pyridine-2-carboxamide

6-chloro-N-(3-imidazol-1-ylphenyl)pyridine-2-carboxamide (PubChem CID 62235091) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 6-chloro-N-(3-imidazol-1-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-imidazol-1-ylphenyl)pyridine-2-carboxamide
PubChem CID62235091
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name6-chloro-N-(3-imidazol-1-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-n2ccnc2)c1)c1cccc(Cl)n1
InChIInChI=1S/C15H11ClN4O/c16-14-6-2-5-13(19-14)15(21)18-11-3-1-4-12(9-11)20-8-7-17-10-20/h1-10H,(H,18,21)
InChIKeyOEXXHPWXIBJSKS-UHFFFAOYSA-N
XLogP3.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(3-imidazol-1-ylphenyl)pyrazine-2-carboxamide
CID 103337237
6-imidazol-1-yl-N-phenylpyridine-2-carboxamide
CID 97260029
6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide
CID 166481334
N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide
CID 47215374
5-chloro-N-(3-imidazol-1-ylphenyl)pentanamide
CID 43697127
N-(3,4-difluorophenyl)-6-imidazol-1-ylpyridine-2-carboxamide
CID 166481211
6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide
CID 55052347
N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide
CID 62234924
N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide
CID 47215494
2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide
CID 43701216
N-(3-imidazol-1-ylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiopyran-5-carboxamide
CID 155963940
3-cyclopropyl-N-(3-imidazol-1-ylphenyl)thiophene-2-carboxamide
CID 51095447

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-imidazol-1-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(3-imidazol-1-ylphenyl)pyridine-2-carboxamide (CID 62235091) is 6-chloro-N-(3-imidazol-1-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-imidazol-1-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3-imidazol-1-ylphenyl)pyridine-2-carboxamide is O=C(Nc1cccc(-n2ccnc2)c1)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(3-imidazol-1-ylphenyl)pyridine-2-carboxamide?
The InChIKey is OEXXHPWXIBJSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-14-6-2-5-13(19-14)15(21)18-11-3-1-4-12(9-11)20-8-7-17-10-20/h1-10H,(H,18,21).
What are the key properties of 6-chloro-N-(3-imidazol-1-ylphenyl)pyridine-2-carboxamide?
6-chloro-N-(3-imidazol-1-ylphenyl)pyridine-2-carboxamide has a molecular weight of 298.73 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-imidazol-1-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62235091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).