N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-(4-propan-2-yloxyphenyl)-1,8-naphthyridine-3-carboxamide

C31H32FN3O3 — CID 166831128

About N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-(4-propan-2-yloxyphenyl)-1,8-naphthyridine-3-carboxamide

N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-(4-propan-2-yloxyphenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 166831128) has the molecular formula C31H32FN3O3 and a molecular weight of 513.61 g/mol. Its IUPAC name is N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-(4-propan-2-yloxyphenyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-(4-propan-2-yloxyphenyl)-1,8-naphthyridine-3-carboxamide
• PubChem CID: 166831128
• Molecular Formula: C31H32FN3O3
• Molecular Weight: 513.61 g/mol
• Exact Mass: 513.24
• IUPAC Name: N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-(4-propan-2-yloxyphenyl)-1,8-naphthyridine-3-carboxamide
• SMILES: CC(C)Oc1ccc(-c2cnc3c(c2)cc(C(=O)NC2CCCCC2)c(=O)n3Cc2ccc(F)cc2)cc1
• InChI: InChI=1S/C31H32FN3O3/c1-20(2)38-27-14-10-22(11-15-27)24-16-23-17-28(30(36)34-26-6-4-3-5-7-26)31(37)35(29(23)33-18-24)19-21-8-12-25(32)13-9-21/h8-18,20,26H,3-7,19H2,1-2H3,(H,34,36)
• InChIKey: GZGIEPBUIYTESD-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.61
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-(4-propan-2-yloxyphenyl)-1,8-naphthyridine-3-carboxamide?

The IUPAC name of N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-(4-propan-2-yloxyphenyl)-1,8-naphthyridine-3-carboxamide (CID 166831128) is N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-(4-propan-2-yloxyphenyl)-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-(4-propan-2-yloxyphenyl)-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-(4-propan-2-yloxyphenyl)-1,8-naphthyridine-3-carboxamide is CC(C)Oc1ccc(-c2cnc3c(c2)cc(C(=O)NC2CCCCC2)c(=O)n3Cc2ccc(F)cc2)cc1.

What is the InChIKey of N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-(4-propan-2-yloxyphenyl)-1,8-naphthyridine-3-carboxamide?

The InChIKey is GZGIEPBUIYTESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN3O3/c1-20(2)38-27-14-10-22(11-15-27)24-16-23-17-28(30(36)34-26-6-4-3-5-7-26)31(37)35(29(23)33-18-24)19-21-8-12-25(32)13-9-21/h8-18,20,26H,3-7,19H2,1-2H3,(H,34,36).

What are the key properties of N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-(4-propan-2-yloxyphenyl)-1,8-naphthyridine-3-carboxamide?

N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-(4-propan-2-yloxyphenyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 513.61 g/mol, XLogP of 6.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-(4-propan-2-yloxyphenyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).