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

C22H23N3O2 — CID 7620138

IUPAC1-benzyl-N-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H23N3O2/c26-21(24-18-11-5-2-6-12-18)19-14-17-10-7-13-23-20(17)25(22(19)27)15-16-8-3-1-4-9-16/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15H2,(H,24,26)
InChIKeyQXPPSINZOIXLQO-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.51
Rot. Bonds4

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

1-benzyl-N-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7620138) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-benzyl-N-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID7620138
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name1-benzyl-N-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H23N3O2/c26-21(24-18-11-5-2-6-12-18)19-14-17-10-7-13-23-20(17)25(22(19)27)15-16-8-3-1-4-9-16/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15H2,(H,24,26)
InChIKeyQXPPSINZOIXLQO-UHFFFAOYSA-N
XLogP3.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7620138) is 1-benzyl-N-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(NC1CCCCC1)c1cc2cccnc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-N-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is QXPPSINZOIXLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-21(24-18-11-5-2-6-12-18)19-14-17-10-7-13-23-20(17)25(22(19)27)15-16-8-3-1-4-9-16/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15H2,(H,24,26).
What are the key properties of 1-benzyl-N-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxamide?
1-benzyl-N-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclohexyl-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7620138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).