N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridine-3-carboxamide

C21H27N3O3 — CID 58024567

IUPACN-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)C2CNCCC2NC1=O
InChIInChI=1S/C21H27N3O3/c25-19-16-12-22-11-10-17(16)24-21(27)18(19)20(26)23-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-9,13,16-17,22,25H,1-5,10-12H2,(H,23,26)(H,24,27)
InChIKeyUKWXEMVZOMQANJ-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.59
Rot. Bonds3

About N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridine-3-carboxamide

N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridine-3-carboxamide (PubChem CID 58024567) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridine-3-carboxamide
PubChem CID58024567
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)C2CNCCC2NC1=O
InChIInChI=1S/C21H27N3O3/c25-19-16-12-22-11-10-17(16)24-21(27)18(19)20(26)23-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-9,13,16-17,22,25H,1-5,10-12H2,(H,23,26)(H,24,27)
InChIKeyUKWXEMVZOMQANJ-UHFFFAOYSA-N
XLogP2.59
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrole-3-carboxamide
CID 54733935
N-(4-cyclohexylphenyl)-4-hydroxy-2-(2-methylpropyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide
CID 54733925
2-benzyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide
CID 54733926
2-cyclohexyl-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxamide
CID 54733927
(2R)-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2-phenyl-2,3-dihydro-1H-pyridine-5-carboxamide
CID 54733928
(2S)-N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2-phenyl-2,3-dihydro-1H-pyridine-5-carboxamide
CID 54733929
N-(4-cyclohexylphenyl)-4-hydroxy-6-oxo-2-phenyl-2,3-dihydro-1H-pyridine-5-carboxamide
CID 54733930
3-hydroxy-5-oxo-2-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)-1,2-dihydropyrrole-4-carboxamide
CID 54733938
3-hydroxy-5-oxo-2-(2-phenylethyl)-N-(4-phenylphenyl)-1,2-dihydropyrrole-4-carboxamide
CID 54733940
N-(4-cyclohexylphenyl)-3-hydroxy-5-oxo-2-(2-phenylethyl)-1,2-dihydropyrrole-4-carboxamide
CID 54733942
2-benzyl-4-hydroxy-6-oxo-N-(4-piperidin-1-ylphenyl)-2,3-dihydro-1H-pyridine-5-carboxamide
CID 54733952
N-[(1-benzylpiperidin-4-yl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 90654545

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridine-3-carboxamide?
The IUPAC name of N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridine-3-carboxamide (CID 58024567) is N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridine-3-carboxamide is O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)C2CNCCC2NC1=O.
What is the InChIKey of N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridine-3-carboxamide?
The InChIKey is UKWXEMVZOMQANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-19-16-12-22-11-10-17(16)24-21(27)18(19)20(26)23-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-9,13,16-17,22,25H,1-5,10-12H2,(H,23,26)(H,24,27).
What are the key properties of N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridine-3-carboxamide?
N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridine-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.59, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 58024567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).