8-(2,4-difluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide

C23H17F2N3O3S — CID 90178110

IUPAC8-(2,4-difluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2ccc3cncc(-c4ccc(F)cc4F)c3n2)cc1
InChIInChI=1S/C23H17F2N3O3S/c1-32(30,31)17-6-2-14(3-7-17)11-27-23(29)21-9-4-15-12-26-13-19(22(15)28-21)18-8-5-16(24)10-20(18)25/h2-10,12-13H,11H2,1H3,(H,27,29)
InChIKeyAEOSRBZVUCBDDV-UHFFFAOYSA-N
MW453.47 g/mol
LogP3.91
Rot. Bonds5

About 8-(2,4-difluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide

8-(2,4-difluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 90178110) has the molecular formula C23H17F2N3O3S and a molecular weight of 453.47 g/mol. Its IUPAC name is 8-(2,4-difluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-(2,4-difluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
PubChem CID90178110
Molecular FormulaC23H17F2N3O3S
Molecular Weight453.47 g/mol
Exact Mass453.10
IUPAC Name8-(2,4-difluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2ccc3cncc(-c4ccc(F)cc4F)c3n2)cc1
InChIInChI=1S/C23H17F2N3O3S/c1-32(30,31)17-6-2-14(3-7-17)11-27-23(29)21-9-4-15-12-26-13-19(22(15)28-21)18-8-5-16(24)10-20(18)25/h2-10,12-13H,11H2,1H3,(H,27,29)
InChIKeyAEOSRBZVUCBDDV-UHFFFAOYSA-N
XLogP3.91
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(2,4-difluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-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

8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 75204137
8-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 159045768
6-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide
CID 59406527
8-(2-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide
CID 90178363
3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 110784508
4-[[(6-methylpyridine-2-carbonyl)amino]methyl]benzenesulfonyl chloride
CID 43096630
N-benzyl-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
CID 4162089
N-[(4-methylsulfonylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 141094510
6-N-(2,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098404
6-N-(3-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097871
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
6-(4-bromoimidazol-1-yl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide
CID 59406543

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-difluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-(2,4-difluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide (CID 90178110) is 8-(2,4-difluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-(2,4-difluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-(2,4-difluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide is CS(=O)(=O)c1ccc(CNC(=O)c2ccc3cncc(-c4ccc(F)cc4F)c3n2)cc1.
What is the InChIKey of 8-(2,4-difluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is AEOSRBZVUCBDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O3S/c1-32(30,31)17-6-2-14(3-7-17)11-27-23(29)21-9-4-15-12-26-13-19(22(15)28-21)18-8-5-16(24)10-20(18)25/h2-10,12-13H,11H2,1H3,(H,27,29).
What are the key properties of 8-(2,4-difluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide?
8-(2,4-difluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 453.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-difluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 90178110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).