1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide

C21H17N3O2S — CID 7620183

IUPAC1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C21H17N3O2S/c25-20(23-13-17-9-5-11-27-17)18-12-16-8-4-10-22-19(16)24(21(18)26)14-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,23,25)
InChIKeyYHGAGFYJLNZNOF-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.44
Rot. Bonds5

About 1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide

1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 7620183) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
PubChem CID7620183
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C21H17N3O2S/c25-20(23-13-17-9-5-11-27-17)18-12-16-8-4-10-22-19(16)24(21(18)26)14-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,23,25)
InChIKeyYHGAGFYJLNZNOF-UHFFFAOYSA-N
XLogP3.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-2-oxo-N-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 7620181
N-benzyl-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620472
1-benzyl-2-oxo-N-propyl-1,8-naphthyridine-3-carboxamide
CID 7620085
1-benzyl-N-[3-(dimethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620123
1-benzyl-N-(2-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620230
1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 18582962
1-[(4-methylphenyl)methyl]-2-oxo-N-(3-phenylpropyl)-1,8-naphthyridine-3-carboxamide
CID 7620499
1-benzyl-N-(2-carbamoylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620334
1-benzyl-2-oxo-N-pyridin-3-yl-1,8-naphthyridine-3-carboxamide
CID 7620300
1-[(4-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620743
N-benzyl-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 129214459
1-benzyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide
CID 7620195

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide (CID 7620183) is 1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide is O=C(NCc1cccs1)c1cc2cccnc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is YHGAGFYJLNZNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c25-20(23-13-17-9-5-11-27-17)18-12-16-8-4-10-22-19(16)24(21(18)26)14-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,23,25).
What are the key properties of 1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide?
1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7620183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).