2-cyclohexyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide

C24H32N2O3 — CID 54733927

IUPAC2-cyclohexyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)CC(C2CCCCC2)NC1=O
InChIInChI=1S/C24H32N2O3/c27-21-15-20(18-9-5-2-6-10-18)26-24(29)22(21)23(28)25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h11-14,16,18,20,27H,1-10,15H2,(H,25,28)(H,26,29)
InChIKeyZPQVRNQKXCPMIS-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.95
Rot. Bonds4

About 2-cyclohexyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide

2-cyclohexyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide (PubChem CID 54733927) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-cyclohexyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide
PubChem CID54733927
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-cyclohexyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)CC(C2CCCCC2)NC1=O
InChIInChI=1S/C24H32N2O3/c27-21-15-20(18-9-5-2-6-10-18)26-24(29)22(21)23(28)25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h11-14,16,18,20,27H,1-10,15H2,(H,25,28)(H,26,29)
InChIKeyZPQVRNQKXCPMIS-UHFFFAOYSA-N
XLogP4.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide?
The IUPAC name of 2-cyclohexyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide (CID 54733927) is 2-cyclohexyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide is O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)CC(C2CCCCC2)NC1=O.
What is the InChIKey of 2-cyclohexyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide?
The InChIKey is ZPQVRNQKXCPMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c27-21-15-20(18-9-5-2-6-10-18)26-24(29)22(21)23(28)25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h11-14,16,18,20,27H,1-10,15H2,(H,25,28)(H,26,29).
What are the key properties of 2-cyclohexyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide?
2-cyclohexyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide has a molecular weight of 396.53 g/mol, XLogP of 4.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide is sourced from PubChem (CID 54733927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).