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

C28H25N5O5 — CID 50833391

IUPACN-[(3-methoxyphenyl)methyl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
SMILESCOc1ccc(-c2noc(-c3cn(CC(=O)NCc4cccc(OC)c4)c4nc(C)ccc4c3=O)n2)cc1
InChIInChI=1S/C28H25N5O5/c1-17-7-12-22-25(35)23(28-31-26(32-38-28)19-8-10-20(36-2)11-9-19)15-33(27(22)30-17)16-24(34)29-14-18-5-4-6-21(13-18)37-3/h4-13,15H,14,16H2,1-3H3,(H,29,34)
InChIKeySWANNIHFFPEMAG-UHFFFAOYSA-N
MW511.54 g/mol
LogP3.76
Rot. Bonds8

About 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

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 (PubChem CID 50833391) has the molecular formula C28H25N5O5 and a molecular weight of 511.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
PubChem CID50833391
Molecular FormulaC28H25N5O5
Molecular Weight511.54 g/mol
Exact Mass511.19
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
SMILESCOc1ccc(-c2noc(-c3cn(CC(=O)NCc4cccc(OC)c4)c4nc(C)ccc4c3=O)n2)cc1
InChIInChI=1S/C28H25N5O5/c1-17-7-12-22-25(35)23(28-31-26(32-38-28)19-8-10-20(36-2)11-9-19)15-33(27(22)30-17)16-24(34)29-14-18-5-4-6-21(13-18)37-3/h4-13,15H,14,16H2,1-3H3,(H,29,34)
InChIKeySWANNIHFFPEMAG-UHFFFAOYSA-N
XLogP3.76
TPSA121.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.54
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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-[(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
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
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-(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
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-(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-[(3-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75527011
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
2-[[4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 53128018
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-(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-c2noc(-c3cn(CC(=O)NCc4cccc(OC)c4)c4nc(C)ccc4c3=O)n2)cc1.
What is the InChIKey of 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?
The InChIKey is SWANNIHFFPEMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O5/c1-17-7-12-22-25(35)23(28-31-26(32-38-28)19-8-10-20(36-2)11-9-19)15-33(27(22)30-17)16-24(34)29-14-18-5-4-6-21(13-18)37-3/h4-13,15H,14,16H2,1-3H3,(H,29,34).
What are the key properties of 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?
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 has a molecular weight of 511.54 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 50833391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).