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

C29H25N5O4 — CID 51612324

IUPACN-[(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
SMILESCOc1ccc(-c2noc(-c3cn(CC(=O)N[C@@H]4CCc5ccccc54)c4nc(C)ccc4c3=O)n2)cc1
InChIInChI=1S/C29H25N5O4/c1-17-7-13-22-26(36)23(29-32-27(33-38-29)19-8-11-20(37-2)12-9-19)15-34(28(22)30-17)16-25(35)31-24-14-10-18-5-3-4-6-21(18)24/h3-9,11-13,15,24H,10,14,16H2,1-2H3,(H,31,35)/t24-/m1/s1
InChIKeyYEADQDWEGIRDPM-XMMPIXPASA-N
MW507.55 g/mol
LogP4.23
Rot. Bonds6

About 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

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 (PubChem CID 51612324) has the molecular formula C29H25N5O4 and a molecular weight of 507.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID51612324
Molecular FormulaC29H25N5O4
Molecular Weight507.55 g/mol
Exact Mass507.19
IUPAC NameN-[(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
SMILESCOc1ccc(-c2noc(-c3cn(CC(=O)N[C@@H]4CCc5ccccc54)c4nc(C)ccc4c3=O)n2)cc1
InChIInChI=1S/C29H25N5O4/c1-17-7-13-22-26(36)23(29-32-27(33-38-29)19-8-11-20(37-2)12-9-19)15-34(28(22)30-17)16-25(35)31-24-14-10-18-5-3-4-6-21(18)24/h3-9,11-13,15,24H,10,14,16H2,1-2H3,(H,31,35)/t24-/m1/s1
InChIKeyYEADQDWEGIRDPM-XMMPIXPASA-N
XLogP4.23
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.55
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-[(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-(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-[7-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50833394
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 95181257
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
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-(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
1-ethyl-7-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,8-naphthyridine-3-carboxamide
CID 1174766
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-c2noc(-c3cn(CC(=O)N[C@@H]4CCc5ccccc54)c4nc(C)ccc4c3=O)n2)cc1.
What is the InChIKey of 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?
The InChIKey is YEADQDWEGIRDPM-XMMPIXPASA-N. The full InChI is InChI=1S/C29H25N5O4/c1-17-7-13-22-26(36)23(29-32-27(33-38-29)19-8-11-20(37-2)12-9-19)15-34(28(22)30-17)16-25(35)31-24-14-10-18-5-3-4-6-21(18)24/h3-9,11-13,15,24H,10,14,16H2,1-2H3,(H,31,35)/t24-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 507.55 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 51612324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).