1-cyclohexyl-3-N-(1-methoxypropan-2-yl)-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide

C21H33N3O4 — CID 45231742

IUPAC1-cyclohexyl-3-N-(1-methoxypropan-2-yl)-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCOCC(C)NC(=O)c1cn(C2CCCCC2)cc(C(=O)NCC(C)C)c1=O
InChIInChI=1S/C21H33N3O4/c1-14(2)10-22-20(26)17-11-24(16-8-6-5-7-9-16)12-18(19(17)25)21(27)23-15(3)13-28-4/h11-12,14-16H,5-10,13H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyQMYKGYDBYCKAMP-UHFFFAOYSA-N
MW391.51 g/mol
LogP2.50
Rot. Bonds8

About 1-cyclohexyl-3-N-(1-methoxypropan-2-yl)-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide

1-cyclohexyl-3-N-(1-methoxypropan-2-yl)-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide (PubChem CID 45231742) has the molecular formula C21H33N3O4 and a molecular weight of 391.51 g/mol. Its IUPAC name is 1-cyclohexyl-3-N-(1-methoxypropan-2-yl)-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-cyclohexyl-3-N-(1-methoxypropan-2-yl)-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
PubChem CID45231742
Molecular FormulaC21H33N3O4
Molecular Weight391.51 g/mol
Exact Mass391.25
IUPAC Name1-cyclohexyl-3-N-(1-methoxypropan-2-yl)-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCOCC(C)NC(=O)c1cn(C2CCCCC2)cc(C(=O)NCC(C)C)c1=O
InChIInChI=1S/C21H33N3O4/c1-14(2)10-22-20(26)17-11-24(16-8-6-5-7-9-16)12-18(19(17)25)21(27)23-15(3)13-28-4/h11-12,14-16H,5-10,13H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyQMYKGYDBYCKAMP-UHFFFAOYSA-N
XLogP2.50
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-5-N-(3-methoxypropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42483113
3-N-butyl-1-cyclopentyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 26356747
3-N-[(2S)-butan-2-yl]-1-cyclopentyl-5-N-(3-methylsulfanylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42499673
5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide
CID 26363741
5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 45224585
3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 25291228
methyl (2S,3S)-2-[[1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carbonyl]amino]-3-methylpentanoate
CID 28785994
1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]pyridine-3-carboxamide
CID 26322269
5-N-cycloheptyl-1-cyclopropyl-4-oxo-3-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide
CID 45203643
1-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 26282384
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-N-(1-methoxypropan-2-yl)-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-cyclohexyl-3-N-(1-methoxypropan-2-yl)-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide (CID 45231742) is 1-cyclohexyl-3-N-(1-methoxypropan-2-yl)-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-cyclohexyl-3-N-(1-methoxypropan-2-yl)-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-cyclohexyl-3-N-(1-methoxypropan-2-yl)-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide is COCC(C)NC(=O)c1cn(C2CCCCC2)cc(C(=O)NCC(C)C)c1=O.
What is the InChIKey of 1-cyclohexyl-3-N-(1-methoxypropan-2-yl)-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is QMYKGYDBYCKAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4/c1-14(2)10-22-20(26)17-11-24(16-8-6-5-7-9-16)12-18(19(17)25)21(27)23-15(3)13-28-4/h11-12,14-16H,5-10,13H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of 1-cyclohexyl-3-N-(1-methoxypropan-2-yl)-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
1-cyclohexyl-3-N-(1-methoxypropan-2-yl)-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 391.51 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-N-(1-methoxypropan-2-yl)-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 45231742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).