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

C21H29N3O3 — CID 143618867

IUPACN-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)C1C(=O)NC2CCNCC2C1O
InChIInChI=1S/C21H29N3O3/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/h6-9,13,16-19,22,25H,1-5,10-12H2,(H,23,26)(H,24,27)
InChIKeyAXZOOCWVIDYUPL-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.76
Rot. Bonds3

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

N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridine-3-carboxamide (PubChem CID 143618867) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridine-3-carboxamide
PubChem CID143618867
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)C1C(=O)NC2CCNCC2C1O
InChIInChI=1S/C21H29N3O3/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/h6-9,13,16-19,22,25H,1-5,10-12H2,(H,23,26)(H,24,27)
InChIKeyAXZOOCWVIDYUPL-UHFFFAOYSA-N
XLogP1.76
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridine-3-carboxamide
CID 58024567
1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea
CID 124566335
5-benzyl-N-(4-cyclopentylphenyl)-5-methyl-2,4-dioxopyrrolidine-3-carboxamide
CID 90723410
N-(4-cyclohexylphenyl)-5-[(3-fluorophenyl)methyl]-5-methyl-2,4-dioxopyrrolidine-3-carboxamide
CID 91167627
(4-cyclopentylphenyl)urea
CID 130193151
4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]phenyl]benzamide
CID 124561571
5-benzyl-N-(4-cyclohexylphenyl)-2,4-dioxopiperidine-3-carboxamide
CID 91515792
1-cyclohexyl-3-(4-cyclopentylphenyl)urea
CID 170179753
3,5-difluoro-N-[4-[(3R)-piperidin-3-yl]phenyl]pyridine-2-carboxamide
CID 175718166
(3S)-N-[4-(1-tert-butylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide
CID 90012477
(1R,5S)-N-(4-cyclohexylphenyl)-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide
CID 133124499
sodium;acetic acid;hydride;N-(4-piperidin-4-ylphenyl)piperidine-4-carboxamide
CID 173252213

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridine-3-carboxamide?
The IUPAC name of N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridine-3-carboxamide (CID 143618867) is N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridine-3-carboxamide is O=C(Nc1ccc(C2CCCCC2)cc1)C1C(=O)NC2CCNCC2C1O.
What is the InChIKey of N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridine-3-carboxamide?
The InChIKey is AXZOOCWVIDYUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/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/h6-9,13,16-19,22,25H,1-5,10-12H2,(H,23,26)(H,24,27).
What are the key properties of N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridine-3-carboxamide?
N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridine-3-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 1.76, 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-3,4,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 143618867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).