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

C29H27F2N3O2 — CID 118719604

IUPAC6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc3cc(-c4ccc(F)cc4)cnc3n(Cc3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C29H27F2N3O2/c1-18-2-12-25(13-3-18)33-28(35)26-15-21-14-22(20-6-10-24(31)11-7-20)16-32-27(21)34(29(26)36)17-19-4-8-23(30)9-5-19/h4-11,14-16,18,25H,2-3,12-13,17H2,1H3,(H,33,35)
InChIKeyGFBJGKXEZXIOQC-UHFFFAOYSA-N
MW487.55 g/mol
LogP5.70
Rot. Bonds5

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

6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 118719604) has the molecular formula C29H27F2N3O2 and a molecular weight of 487.55 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID118719604
Molecular FormulaC29H27F2N3O2
Molecular Weight487.55 g/mol
Exact Mass487.21
IUPAC Name6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc3cc(-c4ccc(F)cc4)cnc3n(Cc3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C29H27F2N3O2/c1-18-2-12-25(13-3-18)33-28(35)26-15-21-14-22(20-6-10-24(31)11-7-20)16-32-27(21)34(29(26)36)17-19-4-8-23(30)9-5-19/h4-11,14-16,18,25H,2-3,12-13,17H2,1H3,(H,33,35)
InChIKeyGFBJGKXEZXIOQC-UHFFFAOYSA-N
XLogP5.70
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.55
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide
CID 117706875
N-(4-Methylcyclohexyl)-1-(p-fluorobenzyl)-1,8-naphthyridin-2(1H)-on-3-carboxamide
CID 44157745
N-Cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 7620725
6-bromo-1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 101882735
1-(5-fluoropentyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118719600
1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide
CID 118719603
6-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118719607
N-(Adamantan-1-yl)-1-(4-fluorobutyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 164946848
1-benzyl-N-cyclohexyl-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 7620138
N-cyclohexyl-1-(4-fluorobenzyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 7620714
N-Cyclohexyl-1-butyl-1,8-naphthyridin-2(1H)-on-3-carboxamide
CID 44157661
N-(4-Fluorophenylethyl)-1-benzyl-1,8-naphthyridin-2(1H)-on-3-carboxamide
CID 44157663

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 118719604) is 6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide is CC1CCC(NC(=O)c2cc3cc(-c4ccc(F)cc4)cnc3n(Cc3ccc(F)cc3)c2=O)CC1.
What is the InChIKey of 6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is GFBJGKXEZXIOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F2N3O2/c1-18-2-12-25(13-3-18)33-28(35)26-15-21-14-22(20-6-10-24(31)11-7-20)16-32-27(21)34(29(26)36)17-19-4-8-23(30)9-5-19/h4-11,14-16,18,25H,2-3,12-13,17H2,1H3,(H,33,35).
What are the key properties of 6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 487.55 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 118719604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).