2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-methylphenyl)acetamide

C27H23N5O4 — CID 50833410

IUPAC2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCOc1ccc(-c2noc(-c3cn(CC(=O)Nc4ccccc4C)c4nc(C)ccc4c3=O)n2)cc1
InChIInChI=1S/C27H23N5O4/c1-16-6-4-5-7-22(16)29-23(33)15-32-14-21(24(34)20-13-8-17(2)28-26(20)32)27-30-25(31-36-27)18-9-11-19(35-3)12-10-18/h4-14H,15H2,1-3H3,(H,29,33)
InChIKeyOHXYVXNRZFPGEA-UHFFFAOYSA-N
MW481.51 g/mol
LogP4.38
Rot. Bonds6

About 2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-methylphenyl)acetamide

2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 50833410) has the molecular formula C27H23N5O4 and a molecular weight of 481.51 g/mol. Its IUPAC name is 2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID50833410
Molecular FormulaC27H23N5O4
Molecular Weight481.51 g/mol
Exact Mass481.18
IUPAC Name2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCOc1ccc(-c2noc(-c3cn(CC(=O)Nc4ccccc4C)c4nc(C)ccc4c3=O)n2)cc1
InChIInChI=1S/C27H23N5O4/c1-16-6-4-5-7-22(16)29-23(33)15-32-14-21(24(34)20-13-8-17(2)28-26(20)32)27-30-25(31-36-27)18-9-11-19(35-3)12-10-18/h4-14H,15H2,1-3H3,(H,29,33)
InChIKeyOHXYVXNRZFPGEA-UHFFFAOYSA-N
XLogP4.38
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-ethylphenyl)-2-[7-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50833323
N-[(2-chlorophenyl)methyl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 166596701
N-[(3-methoxyphenyl)methyl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50833391
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 51612324
N-(2,5-dimethylphenyl)-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50833428
N-(3-fluorophenyl)-2-[7-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50833300
N-(4-ethylphenyl)-2-[7-methyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50833388
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide
CID 50833367
N-[(3-methoxyphenyl)methyl]-2-[7-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50833394
N-(3-fluoro-4-methylphenyl)-2-[7-methyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50833218
methyl 4-[[2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetyl]amino]benzoate
CID 50833374
N-(2,6-dimethylphenyl)-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929570

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-methylphenyl)acetamide (CID 50833410) is 2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-methylphenyl)acetamide is COc1ccc(-c2noc(-c3cn(CC(=O)Nc4ccccc4C)c4nc(C)ccc4c3=O)n2)cc1.
What is the InChIKey of 2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is OHXYVXNRZFPGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O4/c1-16-6-4-5-7-22(16)29-23(33)15-32-14-21(24(34)20-13-8-17(2)28-26(20)32)27-30-25(31-36-27)18-9-11-19(35-3)12-10-18/h4-14H,15H2,1-3H3,(H,29,33).
What are the key properties of 2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-methylphenyl)acetamide?
2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 481.51 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 50833410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).