1-benzyl-N-cyclohexyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide

C22H23N3O3 — CID 59699565

IUPAC1-benzyl-N-cyclohexyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1c(O)c2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H23N3O3/c26-19-17-12-7-13-23-20(17)25(14-15-8-3-1-4-9-15)22(28)18(19)21(27)24-16-10-5-2-6-11-16/h1,3-4,7-9,12-13,16,26H,2,5-6,10-11,14H2,(H,24,27)
InChIKeyZIGXYXLJFMRIJW-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.21
Rot. Bonds4

About 1-benzyl-N-cyclohexyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide

1-benzyl-N-cyclohexyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 59699565) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-benzyl-N-cyclohexyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-cyclohexyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID59699565
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-benzyl-N-cyclohexyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1c(O)c2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H23N3O3/c26-19-17-12-7-13-23-20(17)25(14-15-8-3-1-4-9-15)22(28)18(19)21(27)24-16-10-5-2-6-11-16/h1,3-4,7-9,12-13,16,26H,2,5-6,10-11,14H2,(H,24,27)
InChIKeyZIGXYXLJFMRIJW-UHFFFAOYSA-N
XLogP3.21
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclohexyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-cyclohexyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (CID 59699565) is 1-benzyl-N-cyclohexyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-cyclohexyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-cyclohexyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(NC1CCCCC1)c1c(O)c2cccnc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-N-cyclohexyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is ZIGXYXLJFMRIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-19-17-12-7-13-23-20(17)25(14-15-8-3-1-4-9-15)22(28)18(19)21(27)24-16-10-5-2-6-11-16/h1,3-4,7-9,12-13,16,26H,2,5-6,10-11,14H2,(H,24,27).
What are the key properties of 1-benzyl-N-cyclohexyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
1-benzyl-N-cyclohexyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclohexyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 59699565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).