1-benzyl-5-N-ethyl-3-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide

C25H27N3O4 — CID 26323834

IUPAC1-benzyl-5-N-ethyl-3-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide
SMILESCCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)N[C@H](C)c2cccc(OC)c2)c1=O
InChIInChI=1S/C25H27N3O4/c1-4-26-24(30)21-15-28(14-18-9-6-5-7-10-18)16-22(23(21)29)25(31)27-17(2)19-11-8-12-20(13-19)32-3/h5-13,15-17H,4,14H2,1-3H3,(H,26,30)(H,27,31)/t17-/m1/s1
InChIKeyPIEUAURXGPVARZ-QGZVFWFLSA-N
MW433.51 g/mol
LogP3.15
Rot. Bonds8

About 1-benzyl-5-N-ethyl-3-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide

1-benzyl-5-N-ethyl-3-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide (PubChem CID 26323834) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-benzyl-5-N-ethyl-3-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-5-N-ethyl-3-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide
PubChem CID26323834
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name1-benzyl-5-N-ethyl-3-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide
SMILESCCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)N[C@H](C)c2cccc(OC)c2)c1=O
InChIInChI=1S/C25H27N3O4/c1-4-26-24(30)21-15-28(14-18-9-6-5-7-10-18)16-22(23(21)29)25(31)27-17(2)19-11-8-12-20(13-19)32-3/h5-13,15-17H,4,14H2,1-3H3,(H,26,30)(H,27,31)/t17-/m1/s1
InChIKeyPIEUAURXGPVARZ-QGZVFWFLSA-N
XLogP3.15
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[(1R)-1-(2-chlorophenyl)ethyl]-5-N-ethyl-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 26332016
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CID 154835213
2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 17329704
2-chloro-N-[1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 60934244
1-ethyl-6-methoxy-4-oxo-N-[(1S)-1-phenylethyl]quinoline-3-carboxamide
CID 30132817
3-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 42367751
1-benzyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26279029
1-benzyl-5-N-[(1-hydroxycyclohexyl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 26336289
N-[1-(1-benzylpyrazol-4-yl)ethyl]-5-methoxypyrazolo[1,5-a]pyridine-3-carboxamide
CID 166192226
2-chloro-4,5-difluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 42563597
3-bromo-2-chloro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 103985511
2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-N-ethyl-3-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-benzyl-5-N-ethyl-3-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide (CID 26323834) is 1-benzyl-5-N-ethyl-3-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-5-N-ethyl-3-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-benzyl-5-N-ethyl-3-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide is CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)N[C@H](C)c2cccc(OC)c2)c1=O.
What is the InChIKey of 1-benzyl-5-N-ethyl-3-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is PIEUAURXGPVARZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-4-26-24(30)21-15-28(14-18-9-6-5-7-10-18)16-22(23(21)29)25(31)27-17(2)19-11-8-12-20(13-19)32-3/h5-13,15-17H,4,14H2,1-3H3,(H,26,30)(H,27,31)/t17-/m1/s1.
What are the key properties of 1-benzyl-5-N-ethyl-3-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide?
1-benzyl-5-N-ethyl-3-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-N-ethyl-3-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 26323834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).