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

C25H28N2O3 — CID 54733926

IUPAC2-benzyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)CC(Cc2ccccc2)NC1=O
InChIInChI=1S/C25H28N2O3/c28-22-16-21(15-17-7-3-1-4-8-17)27-25(30)23(22)24(29)26-20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,21,28H,2,5-6,9-10,15-16H2,(H,26,29)(H,27,30)
InChIKeySWHQLBKIZOOTJD-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.62
Rot. Bonds5

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

2-benzyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide (PubChem CID 54733926) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-benzyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide
PubChem CID54733926
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name2-benzyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)CC(Cc2ccccc2)NC1=O
InChIInChI=1S/C25H28N2O3/c28-22-16-21(15-17-7-3-1-4-8-17)27-25(30)23(22)24(29)26-20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,21,28H,2,5-6,9-10,15-16H2,(H,26,29)(H,27,30)
InChIKeySWHQLBKIZOOTJD-UHFFFAOYSA-N
XLogP4.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.62
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-benzyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide?
The IUPAC name of 2-benzyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide (CID 54733926) is 2-benzyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide?
The canonical SMILES for 2-benzyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide is O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)CC(Cc2ccccc2)NC1=O.
What is the InChIKey of 2-benzyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide?
The InChIKey is SWHQLBKIZOOTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c28-22-16-21(15-17-7-3-1-4-8-17)27-25(30)23(22)24(29)26-20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,21,28H,2,5-6,9-10,15-16H2,(H,26,29)(H,27,30).
What are the key properties of 2-benzyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide?
2-benzyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide is sourced from PubChem (CID 54733926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).