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

C15H11ClN4O — CID 81228247

IUPAC4-chloro-N-(2-imidazol-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1-n1ccnc1)c1cnccc1Cl
InChIInChI=1S/C15H11ClN4O/c16-12-5-6-17-9-11(12)15(21)19-13-3-1-2-4-14(13)20-8-7-18-10-20/h1-10H,(H,19,21)
InChIKeyLUTXSMOMDDVHIK-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.17
Rot. Bonds3

About 4-chloro-N-(2-imidazol-1-ylphenyl)pyridine-3-carboxamide

4-chloro-N-(2-imidazol-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 81228247) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 4-chloro-N-(2-imidazol-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-imidazol-1-ylphenyl)pyridine-3-carboxamide
PubChem CID81228247
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name4-chloro-N-(2-imidazol-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1-n1ccnc1)c1cnccc1Cl
InChIInChI=1S/C15H11ClN4O/c16-12-5-6-17-9-11(12)15(21)19-13-3-1-2-4-14(13)20-8-7-18-10-20/h1-10H,(H,19,21)
InChIKeyLUTXSMOMDDVHIK-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

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Related Compounds

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N-(2-imidazol-1-ylphenyl)-1H-pyrazole-4-carboxamide
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N-(2-imidazol-1-ylphenyl)-2-methyl-6-phenylpyridine-3-carboxamide
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1-(4-chlorophenyl)-N-(2-imidazol-1-ylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 78899796
1-benzyl-N-(2-imidazol-1-ylphenyl)indole-3-carboxamide
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N-(2-imidazol-1-ylphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
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N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide
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N-(2-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide
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4-chloro-N-(3-fluoro-2-iodophenyl)pyridine-3-carboxamide
CID 114258700

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-imidazol-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(2-imidazol-1-ylphenyl)pyridine-3-carboxamide (CID 81228247) is 4-chloro-N-(2-imidazol-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-imidazol-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2-imidazol-1-ylphenyl)pyridine-3-carboxamide is O=C(Nc1ccccc1-n1ccnc1)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-(2-imidazol-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is LUTXSMOMDDVHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-12-5-6-17-9-11(12)15(21)19-13-3-1-2-4-14(13)20-8-7-18-10-20/h1-10H,(H,19,21).
What are the key properties of 4-chloro-N-(2-imidazol-1-ylphenyl)pyridine-3-carboxamide?
4-chloro-N-(2-imidazol-1-ylphenyl)pyridine-3-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 4-chloro-N-(2-imidazol-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 81228247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).