1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C23H24FN3O3 — CID 118735890

IUPAC1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2c(O)c3cccnc3n(Cc3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C23H24FN3O3/c1-14-4-10-17(11-5-14)26-22(29)19-20(28)18-3-2-12-25-21(18)27(23(19)30)13-15-6-8-16(24)9-7-15/h2-3,6-9,12,14,17,28H,4-5,10-11,13H2,1H3,(H,26,29)
InChIKeyDTACOIAFVQJIHP-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.60
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide

1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 118735890) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID118735890
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2c(O)c3cccnc3n(Cc3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C23H24FN3O3/c1-14-4-10-17(11-5-14)26-22(29)19-20(28)18-3-2-12-25-21(18)27(23(19)30)13-15-6-8-16(24)9-7-15/h2-3,6-9,12,14,17,28H,4-5,10-11,13H2,1H3,(H,26,29)
InChIKeyDTACOIAFVQJIHP-UHFFFAOYSA-N
XLogP3.60
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 118735890) is 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide is CC1CCC(NC(=O)c2c(O)c3cccnc3n(Cc3ccc(F)cc3)c2=O)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is DTACOIAFVQJIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-14-4-10-17(11-5-14)26-22(29)19-20(28)18-3-2-12-25-21(18)27(23(19)30)13-15-6-8-16(24)9-7-15/h2-3,6-9,12,14,17,28H,4-5,10-11,13H2,1H3,(H,26,29).
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 118735890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).