1-(4-chlorophenyl)-N-cyclohexyl-6-oxo-4,5-diphenylpyridine-2-carboxamide

C30H27ClN2O2 — CID 10950969

IUPAC1-(4-chlorophenyl)-N-cyclohexyl-6-oxo-4,5-diphenylpyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-c2ccccc2)c(-c2ccccc2)c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C30H27ClN2O2/c31-23-16-18-25(19-17-23)33-27(29(34)32-24-14-8-3-9-15-24)20-26(21-10-4-1-5-11-21)28(30(33)35)22-12-6-2-7-13-22/h1-2,4-7,10-13,16-20,24H,3,8-9,14-15H2,(H,32,34)
InChIKeyRJQUZDSOXONOHT-UHFFFAOYSA-N
MW483.01 g/mol
LogP6.89
Rot. Bonds5

About 1-(4-chlorophenyl)-N-cyclohexyl-6-oxo-4,5-diphenylpyridine-2-carboxamide

1-(4-chlorophenyl)-N-cyclohexyl-6-oxo-4,5-diphenylpyridine-2-carboxamide (PubChem CID 10950969) has the molecular formula C30H27ClN2O2 and a molecular weight of 483.01 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-cyclohexyl-6-oxo-4,5-diphenylpyridine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-cyclohexyl-6-oxo-4,5-diphenylpyridine-2-carboxamide
PubChem CID10950969
Molecular FormulaC30H27ClN2O2
Molecular Weight483.01 g/mol
Exact Mass482.18
IUPAC Name1-(4-chlorophenyl)-N-cyclohexyl-6-oxo-4,5-diphenylpyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-c2ccccc2)c(-c2ccccc2)c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C30H27ClN2O2/c31-23-16-18-25(19-17-23)33-27(29(34)32-24-14-8-3-9-15-24)20-26(21-10-4-1-5-11-21)28(30(33)35)22-12-6-2-7-13-22/h1-2,4-7,10-13,16-20,24H,3,8-9,14-15H2,(H,32,34)
InChIKeyRJQUZDSOXONOHT-UHFFFAOYSA-N
XLogP6.89
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.01
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide
CID 4521775
2-(4-chlorobenzoyl)-N-cycloheptylbenzamide
CID 11841438
2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide
CID 69293752
3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-cyclohexylpyrazole-5-carboxamide
CID 42759394
N-cycloheptyl-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
CID 110680876
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
2-(4-chlorobenzoyl)-N-cyclopentylbenzamide
CID 11841269
3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 5038891
N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790626
3-(4-chlorophenyl)-N-cyclohexyl-1-(2-methylpropyl)-6-oxo-5-phenylpyrazine-2-carboxamide
CID 101258247
3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide
CID 72547632

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-cyclohexyl-6-oxo-4,5-diphenylpyridine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-cyclohexyl-6-oxo-4,5-diphenylpyridine-2-carboxamide (CID 10950969) is 1-(4-chlorophenyl)-N-cyclohexyl-6-oxo-4,5-diphenylpyridine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-cyclohexyl-6-oxo-4,5-diphenylpyridine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-cyclohexyl-6-oxo-4,5-diphenylpyridine-2-carboxamide is O=C(NC1CCCCC1)c1cc(-c2ccccc2)c(-c2ccccc2)c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-cyclohexyl-6-oxo-4,5-diphenylpyridine-2-carboxamide?
The InChIKey is RJQUZDSOXONOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClN2O2/c31-23-16-18-25(19-17-23)33-27(29(34)32-24-14-8-3-9-15-24)20-26(21-10-4-1-5-11-21)28(30(33)35)22-12-6-2-7-13-22/h1-2,4-7,10-13,16-20,24H,3,8-9,14-15H2,(H,32,34).
What are the key properties of 1-(4-chlorophenyl)-N-cyclohexyl-6-oxo-4,5-diphenylpyridine-2-carboxamide?
1-(4-chlorophenyl)-N-cyclohexyl-6-oxo-4,5-diphenylpyridine-2-carboxamide has a molecular weight of 483.01 g/mol, XLogP of 6.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-cyclohexyl-6-oxo-4,5-diphenylpyridine-2-carboxamide is sourced from PubChem (CID 10950969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).