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

C22H30N2O3 — CID 54733925

IUPACN-(4-cyclohexylphenyl)-4-hydroxy-2-(2-methylpropyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide
SMILESCC(C)CC1CC(O)=C(C(=O)Nc2ccc(C3CCCCC3)cc2)C(=O)N1
InChIInChI=1S/C22H30N2O3/c1-14(2)12-18-13-19(25)20(22(27)24-18)21(26)23-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,14-15,18,25H,3-7,12-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyDVDAPPSNQKTVOB-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.42
Rot. Bonds5

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

N-(4-cyclohexylphenyl)-4-hydroxy-2-(2-methylpropyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide (PubChem CID 54733925) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-4-hydroxy-2-(2-methylpropyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-4-hydroxy-2-(2-methylpropyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide
PubChem CID54733925
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-(4-cyclohexylphenyl)-4-hydroxy-2-(2-methylpropyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide
SMILESCC(C)CC1CC(O)=C(C(=O)Nc2ccc(C3CCCCC3)cc2)C(=O)N1
InChIInChI=1S/C22H30N2O3/c1-14(2)12-18-13-19(25)20(22(27)24-18)21(26)23-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,14-15,18,25H,3-7,12-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyDVDAPPSNQKTVOB-UHFFFAOYSA-N
XLogP4.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.42
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 N-(4-cyclohexylphenyl)-4-hydroxy-2-(2-methylpropyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide?
The IUPAC name of N-(4-cyclohexylphenyl)-4-hydroxy-2-(2-methylpropyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide (CID 54733925) is N-(4-cyclohexylphenyl)-4-hydroxy-2-(2-methylpropyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-4-hydroxy-2-(2-methylpropyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-4-hydroxy-2-(2-methylpropyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide is CC(C)CC1CC(O)=C(C(=O)Nc2ccc(C3CCCCC3)cc2)C(=O)N1.
What is the InChIKey of N-(4-cyclohexylphenyl)-4-hydroxy-2-(2-methylpropyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide?
The InChIKey is DVDAPPSNQKTVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-14(2)12-18-13-19(25)20(22(27)24-18)21(26)23-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,14-15,18,25H,3-7,12-13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-cyclohexylphenyl)-4-hydroxy-2-(2-methylpropyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide?
N-(4-cyclohexylphenyl)-4-hydroxy-2-(2-methylpropyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide has a molecular weight of 370.49 g/mol, XLogP of 4.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-4-hydroxy-2-(2-methylpropyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide is sourced from PubChem (CID 54733925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).