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

C23H18ClN3O3S — CID 75204137

IUPAC8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2ccc3cncc(-c4ccc(Cl)cc4)c3n2)cc1
InChIInChI=1S/C23H18ClN3O3S/c1-31(29,30)19-9-2-15(3-10-19)12-26-23(28)21-11-6-17-13-25-14-20(22(17)27-21)16-4-7-18(24)8-5-16/h2-11,13-14H,12H2,1H3,(H,26,28)
InChIKeyKJPDLGDXZHUPMX-UHFFFAOYSA-N
MW451.94 g/mol
LogP4.28
Rot. Bonds5

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

8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 75204137) has the molecular formula C23H18ClN3O3S and a molecular weight of 451.94 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
PubChem CID75204137
Molecular FormulaC23H18ClN3O3S
Molecular Weight451.94 g/mol
Exact Mass451.08
IUPAC Name8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2ccc3cncc(-c4ccc(Cl)cc4)c3n2)cc1
InChIInChI=1S/C23H18ClN3O3S/c1-31(29,30)19-9-2-15(3-10-19)12-26-23(28)21-11-6-17-13-25-14-20(22(17)27-21)16-4-7-18(24)8-5-16/h2-11,13-14H,12H2,1H3,(H,26,28)
InChIKeyKJPDLGDXZHUPMX-UHFFFAOYSA-N
XLogP4.28
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.94
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
8-(2,4-difluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 90178110
5-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide
CID 158795736
8-(2-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide
CID 90178363
N-benzyl-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
CID 4162089
8-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide
CID 144631408
6-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide
CID 59406527
8-(4-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone
CID 158393333
N-[(4-methylsulfonylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 141094510
4-[[(6-methylpyridine-2-carbonyl)amino]methyl]benzenesulfonyl chloride
CID 43096630
5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-carboxamide
CID 107231717
3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 110784508

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide (CID 75204137) is 8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide is CS(=O)(=O)c1ccc(CNC(=O)c2ccc3cncc(-c4ccc(Cl)cc4)c3n2)cc1.
What is the InChIKey of 8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is KJPDLGDXZHUPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3S/c1-31(29,30)19-9-2-15(3-10-19)12-26-23(28)21-11-6-17-13-25-14-20(22(17)27-21)16-4-7-18(24)8-5-16/h2-11,13-14H,12H2,1H3,(H,26,28).
What are the key properties of 8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide?
8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 451.94 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 75204137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).