6-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide

C15H11ClN4O — CID 62232925

IUPAC6-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cnc[nH]2)cc1)c1cccc(Cl)n1
InChIInChI=1S/C15H11ClN4O/c16-14-3-1-2-12(20-14)15(21)19-11-6-4-10(5-7-11)13-8-17-9-18-13/h1-9H,(H,17,18)(H,19,21)
InChIKeyJVCLSERFUHDVDL-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.38
Rot. Bonds3

About 6-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide

6-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide (PubChem CID 62232925) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 6-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide
PubChem CID62232925
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name6-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cnc[nH]2)cc1)c1cccc(Cl)n1
InChIInChI=1S/C15H11ClN4O/c16-14-3-1-2-12(20-14)15(21)19-11-6-4-10(5-7-11)13-8-17-9-18-13/h1-9H,(H,17,18)(H,19,21)
InChIKeyJVCLSERFUHDVDL-UHFFFAOYSA-N
XLogP3.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]pyridine-2-carboxamide
CID 62233090
N-[4-(1H-imidazol-5-yl)phenyl]-2-iodobenzamide
CID 60666058
3-formyl-N-[4-(1H-imidazol-5-yl)phenyl]benzamide
CID 90105435
2-(3-chlorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 110668471
3-bromo-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide
CID 107518337
N-[4-(1H-imidazol-5-yl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60666303
2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 62733559
4-chloro-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
CID 55206350
N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloropyridine-2-carboxamide
CID 62233473
6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 62234186
N-[4-(1H-imidazol-5-yl)phenyl]but-2-enamide
CID 78997234
6-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-2-carboxamide
CID 62235449

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide (CID 62232925) is 6-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(-c2cnc[nH]2)cc1)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is JVCLSERFUHDVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-14-3-1-2-12(20-14)15(21)19-11-6-4-10(5-7-11)13-8-17-9-18-13/h1-9H,(H,17,18)(H,19,21).
What are the key properties of 6-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide?
6-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 298.73 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 62232925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).