1-cyclohexyl-3-N-(1,2-diphenylethyl)-5-N-methyl-4-oxopyridine-3,5-dicarboxamide

C28H31N3O3 — CID 45195813

IUPAC1-cyclohexyl-3-N-(1,2-diphenylethyl)-5-N-methyl-4-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cn(C2CCCCC2)cc(C(=O)NC(Cc2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C28H31N3O3/c1-29-27(33)23-18-31(22-15-9-4-10-16-22)19-24(26(23)32)28(34)30-25(21-13-7-3-8-14-21)17-20-11-5-2-6-12-20/h2-3,5-8,11-14,18-19,22,25H,4,9-10,15-17H2,1H3,(H,29,33)(H,30,34)
InChIKeyUWZDHBIEBNUVFM-UHFFFAOYSA-N
MW457.57 g/mol
LogP4.43
Rot. Bonds7

About 1-cyclohexyl-3-N-(1,2-diphenylethyl)-5-N-methyl-4-oxopyridine-3,5-dicarboxamide

1-cyclohexyl-3-N-(1,2-diphenylethyl)-5-N-methyl-4-oxopyridine-3,5-dicarboxamide (PubChem CID 45195813) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is 1-cyclohexyl-3-N-(1,2-diphenylethyl)-5-N-methyl-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-cyclohexyl-3-N-(1,2-diphenylethyl)-5-N-methyl-4-oxopyridine-3,5-dicarboxamide
PubChem CID45195813
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name1-cyclohexyl-3-N-(1,2-diphenylethyl)-5-N-methyl-4-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cn(C2CCCCC2)cc(C(=O)NC(Cc2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C28H31N3O3/c1-29-27(33)23-18-31(22-15-9-4-10-16-22)19-24(26(23)32)28(34)30-25(21-13-7-3-8-14-21)17-20-11-5-2-6-12-20/h2-3,5-8,11-14,18-19,22,25H,4,9-10,15-17H2,1H3,(H,29,33)(H,30,34)
InChIKeyUWZDHBIEBNUVFM-UHFFFAOYSA-N
XLogP4.43
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

methyl (2S)-2-[[1-cyclohexyl-5-(methylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]-3-phenylpropanoate
CID 26359512
5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide
CID 26363741
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
1-cyclohexyl-3-N-[2-(4-fluorophenyl)ethyl]-5-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 42212323
1-cyclopentyl-5-N-ethyl-3-N-[furan-2-yl(phenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
CID 45232910
1-cyclohexyl-4-oxo-N-[(R)-phenyl(pyridin-4-yl)methyl]-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 26277522
1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxopyridine-3-carboxamide
CID 26356143
5-N-benzyl-1-cyclopropyl-3-N-[(1S)-1-naphthalen-1-ylethyl]-4-oxopyridine-3,5-dicarboxamide
CID 26399691
5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26343862
1-cyclohexyl-5-N-methyl-4-oxo-3-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]pyridine-3,5-dicarboxamide
CID 98277035
1-cyclohexyl-5-N-methyl-4-oxo-3-N-(spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 45191694
3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 25291228

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-N-(1,2-diphenylethyl)-5-N-methyl-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-cyclohexyl-3-N-(1,2-diphenylethyl)-5-N-methyl-4-oxopyridine-3,5-dicarboxamide (CID 45195813) is 1-cyclohexyl-3-N-(1,2-diphenylethyl)-5-N-methyl-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-cyclohexyl-3-N-(1,2-diphenylethyl)-5-N-methyl-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-cyclohexyl-3-N-(1,2-diphenylethyl)-5-N-methyl-4-oxopyridine-3,5-dicarboxamide is CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NC(Cc2ccccc2)c2ccccc2)c1=O.
What is the InChIKey of 1-cyclohexyl-3-N-(1,2-diphenylethyl)-5-N-methyl-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is UWZDHBIEBNUVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-29-27(33)23-18-31(22-15-9-4-10-16-22)19-24(26(23)32)28(34)30-25(21-13-7-3-8-14-21)17-20-11-5-2-6-12-20/h2-3,5-8,11-14,18-19,22,25H,4,9-10,15-17H2,1H3,(H,29,33)(H,30,34).
What are the key properties of 1-cyclohexyl-3-N-(1,2-diphenylethyl)-5-N-methyl-4-oxopyridine-3,5-dicarboxamide?
1-cyclohexyl-3-N-(1,2-diphenylethyl)-5-N-methyl-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 457.57 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-N-(1,2-diphenylethyl)-5-N-methyl-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 45195813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).