1-cyclopentyl-5-N-ethyl-3-N-[furan-2-yl(phenyl)methyl]-4-oxopyridine-3,5-dicarboxamide

C25H27N3O4 — CID 45232910

IUPAC1-cyclopentyl-5-N-ethyl-3-N-[furan-2-yl(phenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
SMILESCCNC(=O)c1cn(C2CCCC2)cc(C(=O)NC(c2ccccc2)c2ccco2)c1=O
InChIInChI=1S/C25H27N3O4/c1-2-26-24(30)19-15-28(18-11-6-7-12-18)16-20(23(19)29)25(31)27-22(21-13-8-14-32-21)17-9-4-3-5-10-17/h3-5,8-10,13-16,18,22H,2,6-7,11-12H2,1H3,(H,26,30)(H,27,31)
InChIKeyMDZJCSNPEIDFIJ-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.83
Rot. Bonds7

About 1-cyclopentyl-5-N-ethyl-3-N-[furan-2-yl(phenyl)methyl]-4-oxopyridine-3,5-dicarboxamide

1-cyclopentyl-5-N-ethyl-3-N-[furan-2-yl(phenyl)methyl]-4-oxopyridine-3,5-dicarboxamide (PubChem CID 45232910) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-cyclopentyl-5-N-ethyl-3-N-[furan-2-yl(phenyl)methyl]-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-cyclopentyl-5-N-ethyl-3-N-[furan-2-yl(phenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
PubChem CID45232910
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name1-cyclopentyl-5-N-ethyl-3-N-[furan-2-yl(phenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
SMILESCCNC(=O)c1cn(C2CCCC2)cc(C(=O)NC(c2ccccc2)c2ccco2)c1=O
InChIInChI=1S/C25H27N3O4/c1-2-26-24(30)19-15-28(18-11-6-7-12-18)16-20(23(19)29)25(31)27-22(21-13-8-14-32-21)17-9-4-3-5-10-17/h3-5,8-10,13-16,18,22H,2,6-7,11-12H2,1H3,(H,26,30)(H,27,31)
InChIKeyMDZJCSNPEIDFIJ-UHFFFAOYSA-N
XLogP3.83
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide
CID 26363741
1-(cyclohexylmethyl)-5-N-ethyl-4-oxo-3-N-[phenyl(pyridin-4-yl)methyl]pyridine-3,5-dicarboxamide
CID 45226945
1-cyclohexyl-3-N-(1,2-diphenylethyl)-5-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 45195813
3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 25291228
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(S)-furan-2-yl(phenyl)methyl]propanamide
CID 11934924
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(R)-furan-2-yl(phenyl)methyl]propanamide
CID 8928284
5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26343862
2-bromo-N-[furan-2-yl(phenyl)methyl]furan-3-carboxamide
CID 106853210
methyl (2S)-2-[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]-3-phenylpropanoate
CID 26359512
3-N-[(2S)-butan-2-yl]-1-cyclopentyl-5-N-(3-methylsulfanylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42499673
N-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide
CID 60661858
2-ethoxy-N-[furan-2-yl(phenyl)methyl]acetamide
CID 60712310

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-N-ethyl-3-N-[furan-2-yl(phenyl)methyl]-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-cyclopentyl-5-N-ethyl-3-N-[furan-2-yl(phenyl)methyl]-4-oxopyridine-3,5-dicarboxamide (CID 45232910) is 1-cyclopentyl-5-N-ethyl-3-N-[furan-2-yl(phenyl)methyl]-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-cyclopentyl-5-N-ethyl-3-N-[furan-2-yl(phenyl)methyl]-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-cyclopentyl-5-N-ethyl-3-N-[furan-2-yl(phenyl)methyl]-4-oxopyridine-3,5-dicarboxamide is CCNC(=O)c1cn(C2CCCC2)cc(C(=O)NC(c2ccccc2)c2ccco2)c1=O.
What is the InChIKey of 1-cyclopentyl-5-N-ethyl-3-N-[furan-2-yl(phenyl)methyl]-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is MDZJCSNPEIDFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-2-26-24(30)19-15-28(18-11-6-7-12-18)16-20(23(19)29)25(31)27-22(21-13-8-14-32-21)17-9-4-3-5-10-17/h3-5,8-10,13-16,18,22H,2,6-7,11-12H2,1H3,(H,26,30)(H,27,31).
What are the key properties of 1-cyclopentyl-5-N-ethyl-3-N-[furan-2-yl(phenyl)methyl]-4-oxopyridine-3,5-dicarboxamide?
1-cyclopentyl-5-N-ethyl-3-N-[furan-2-yl(phenyl)methyl]-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-N-ethyl-3-N-[furan-2-yl(phenyl)methyl]-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 45232910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).