1-[3-(4-methylsulfonylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide

C25H23N3O4S — CID 10115569

IUPAC1-[3-(4-methylsulfonylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cn(-c2cccc(-c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1=O
InChIInChI=1S/C25H23N3O4S/c1-16(2)27-25(30)22-15-28(24-21(23(22)29)8-5-13-26-24)19-7-4-6-18(14-19)17-9-11-20(12-10-17)33(3,31)32/h4-16H,1-3H3,(H,27,30)
InChIKeyKNTBWHMWKIHMTO-UHFFFAOYSA-N
MW461.54 g/mol
LogP3.59
Rot. Bonds5

About 1-[3-(4-methylsulfonylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide

1-[3-(4-methylsulfonylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 10115569) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is 1-[3-(4-methylsulfonylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(4-methylsulfonylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
PubChem CID10115569
Molecular FormulaC25H23N3O4S
Molecular Weight461.54 g/mol
Exact Mass461.14
IUPAC Name1-[3-(4-methylsulfonylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cn(-c2cccc(-c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1=O
InChIInChI=1S/C25H23N3O4S/c1-16(2)27-25(30)22-15-28(24-21(23(22)29)8-5-13-26-24)19-7-4-6-18(14-19)17-9-11-20(12-10-17)33(3,31)32/h4-16H,1-3H3,(H,27,30)
InChIKeyKNTBWHMWKIHMTO-UHFFFAOYSA-N
XLogP3.59
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylsulfonylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[3-(4-methylsulfonylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide (CID 10115569) is 1-[3-(4-methylsulfonylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[3-(4-methylsulfonylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[3-(4-methylsulfonylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide is CC(C)NC(=O)c1cn(-c2cccc(-c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1=O.
What is the InChIKey of 1-[3-(4-methylsulfonylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The InChIKey is KNTBWHMWKIHMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-16(2)27-25(30)22-15-28(24-21(23(22)29)8-5-13-26-24)19-7-4-6-18(14-19)17-9-11-20(12-10-17)33(3,31)32/h4-16H,1-3H3,(H,27,30).
What are the key properties of 1-[3-(4-methylsulfonylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
1-[3-(4-methylsulfonylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 461.54 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylsulfonylphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10115569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).