8-(3-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide

C24H20FN3O3S — CID 75203761

IUPAC8-(3-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc2cncc(-c3cccc(F)c3)c2n1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C24H20FN3O3S/c1-15(16-6-9-20(10-7-16)32(2,30)31)27-24(29)22-11-8-18-13-26-14-21(23(18)28-22)17-4-3-5-19(25)12-17/h3-15H,1-2H3,(H,27,29)
InChIKeyKEGAUXYYZCAWBB-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.33
Rot. Bonds5

About 8-(3-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide

8-(3-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 75203761) has the molecular formula C24H20FN3O3S and a molecular weight of 449.51 g/mol. Its IUPAC name is 8-(3-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-(3-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide
PubChem CID75203761
Molecular FormulaC24H20FN3O3S
Molecular Weight449.51 g/mol
Exact Mass449.12
IUPAC Name8-(3-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc2cncc(-c3cccc(F)c3)c2n1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C24H20FN3O3S/c1-15(16-6-9-20(10-7-16)32(2,30)31)27-24(29)22-11-8-18-13-26-14-21(23(18)28-22)17-4-3-5-19(25)12-17/h3-15H,1-2H3,(H,27,29)
InChIKeyKEGAUXYYZCAWBB-UHFFFAOYSA-N
XLogP4.33
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(4-fluorophenyl)-N-[1-(4-methylsulfinylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide
CID 144631410
6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 25024948
N-[(1S)-1-phenylethyl]-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
CID 24730432
8-(2,4-difluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 90178110
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 31883285
2-N,6-N-bis[1-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 46430353
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
N-[1-(4-methylsulfonylphenyl)ethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55433250
2-(3-fluorophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 47013000
5-(difluoromethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 125447012
N-[(1S)-1-[4-(3-fluorophenyl)-3-methoxyphenyl]ethyl]pyridine-3-carboxamide
CID 140571963
5-amino-N-[1-(3-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 81317430

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-(3-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide (CID 75203761) is 8-(3-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-(3-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-(3-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide is CC(NC(=O)c1ccc2cncc(-c3cccc(F)c3)c2n1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 8-(3-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is KEGAUXYYZCAWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3S/c1-15(16-6-9-20(10-7-16)32(2,30)31)27-24(29)22-11-8-18-13-26-14-21(23(18)28-22)17-4-3-5-19(25)12-17/h3-15H,1-2H3,(H,27,29).
What are the key properties of 8-(3-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide?
8-(3-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 75203761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).