6-benzyl-2-methyl-N-(3-methylsulfanylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide

C24H21N3O2S — CID 20947021

IUPAC6-benzyl-2-methyl-N-(3-methylsulfanylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide
SMILESCSc1cccc(NC(=O)c2cc3c(=O)n(Cc4ccccc4)ccc3nc2C)c1
InChIInChI=1S/C24H21N3O2S/c1-16-20(23(28)26-18-9-6-10-19(13-18)30-2)14-21-22(25-16)11-12-27(24(21)29)15-17-7-4-3-5-8-17/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyYFDWTODELHQAAJ-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.73
Rot. Bonds5

About 6-benzyl-2-methyl-N-(3-methylsulfanylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide

6-benzyl-2-methyl-N-(3-methylsulfanylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide (PubChem CID 20947021) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 6-benzyl-2-methyl-N-(3-methylsulfanylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-benzyl-2-methyl-N-(3-methylsulfanylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide
PubChem CID20947021
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name6-benzyl-2-methyl-N-(3-methylsulfanylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide
SMILESCSc1cccc(NC(=O)c2cc3c(=O)n(Cc4ccccc4)ccc3nc2C)c1
InChIInChI=1S/C24H21N3O2S/c1-16-20(23(28)26-18-9-6-10-19(13-18)30-2)14-21-22(25-16)11-12-27(24(21)29)15-17-7-4-3-5-8-17/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyYFDWTODELHQAAJ-UHFFFAOYSA-N
XLogP4.73
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-benzyl-N-(4-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339999
6-benzyl-N-(2,5-dimethylphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 20947019
6-(2-methoxyethyl)-2-methyl-N-(3-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339963
6-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339843
ethyl 3-[[6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carbonyl]amino]benzoate
CID 46339917
2-methyl-5-oxo-N-(pyridin-2-ylmethyl)-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide
CID 169248748
6-[(4-chloro-3-fluorophenyl)methyl]-2-methyl-5-oxo-N-(pyridin-2-ylmethyl)-1,6-naphthyridine-3-carboxamide
CID 170306689
6-(furan-2-ylmethyl)-2-methyl-5-oxo-N-(3-phenylpropyl)-1,6-naphthyridine-3-carboxamide
CID 20946822
2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 16504045
N-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide
CID 7422689
2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481
6-[(4-chlorophenyl)methyl]-N-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 169248867

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-methyl-N-(3-methylsulfanylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 6-benzyl-2-methyl-N-(3-methylsulfanylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide (CID 20947021) is 6-benzyl-2-methyl-N-(3-methylsulfanylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-benzyl-2-methyl-N-(3-methylsulfanylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 6-benzyl-2-methyl-N-(3-methylsulfanylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide is CSc1cccc(NC(=O)c2cc3c(=O)n(Cc4ccccc4)ccc3nc2C)c1.
What is the InChIKey of 6-benzyl-2-methyl-N-(3-methylsulfanylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide?
The InChIKey is YFDWTODELHQAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-16-20(23(28)26-18-9-6-10-19(13-18)30-2)14-21-22(25-16)11-12-27(24(21)29)15-17-7-4-3-5-8-17/h3-14H,15H2,1-2H3,(H,26,28).
What are the key properties of 6-benzyl-2-methyl-N-(3-methylsulfanylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide?
6-benzyl-2-methyl-N-(3-methylsulfanylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-methyl-N-(3-methylsulfanylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 20947021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).