3-N-benzyl-3-N-butyl-1-(cyclohexylmethyl)-5-N,5-N-dimethyl-4-oxopyridine-3,5-dicarboxamide

C27H37N3O3 — CID 26332084

IUPAC3-N-benzyl-3-N-butyl-1-(cyclohexylmethyl)-5-N,5-N-dimethyl-4-oxopyridine-3,5-dicarboxamide
SMILESCCCCN(Cc1ccccc1)C(=O)c1cn(CC2CCCCC2)cc(C(=O)N(C)C)c1=O
InChIInChI=1S/C27H37N3O3/c1-4-5-16-30(18-22-14-10-7-11-15-22)27(33)24-20-29(17-21-12-8-6-9-13-21)19-23(25(24)31)26(32)28(2)3/h7,10-11,14-15,19-21H,4-6,8-9,12-13,16-18H2,1-3H3
InChIKeyDMQQQXJLROZYRS-UHFFFAOYSA-N
MW451.61 g/mol
LogP4.57
Rot. Bonds9

About 3-N-benzyl-3-N-butyl-1-(cyclohexylmethyl)-5-N,5-N-dimethyl-4-oxopyridine-3,5-dicarboxamide

3-N-benzyl-3-N-butyl-1-(cyclohexylmethyl)-5-N,5-N-dimethyl-4-oxopyridine-3,5-dicarboxamide (PubChem CID 26332084) has the molecular formula C27H37N3O3 and a molecular weight of 451.61 g/mol. Its IUPAC name is 3-N-benzyl-3-N-butyl-1-(cyclohexylmethyl)-5-N,5-N-dimethyl-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-3-N-butyl-1-(cyclohexylmethyl)-5-N,5-N-dimethyl-4-oxopyridine-3,5-dicarboxamide
PubChem CID26332084
Molecular FormulaC27H37N3O3
Molecular Weight451.61 g/mol
Exact Mass451.28
IUPAC Name3-N-benzyl-3-N-butyl-1-(cyclohexylmethyl)-5-N,5-N-dimethyl-4-oxopyridine-3,5-dicarboxamide
SMILESCCCCN(Cc1ccccc1)C(=O)c1cn(CC2CCCCC2)cc(C(=O)N(C)C)c1=O
InChIInChI=1S/C27H37N3O3/c1-4-5-16-30(18-22-14-10-7-11-15-22)27(33)24-20-29(17-21-12-8-6-9-13-21)19-23(25(24)31)26(32)28(2)3/h7,10-11,14-15,19-21H,4-6,8-9,12-13,16-18H2,1-3H3
InChIKeyDMQQQXJLROZYRS-UHFFFAOYSA-N
XLogP4.57
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.61
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-N-benzyl-3-N-butyl-1-(cyclohexylmethyl)-5-N,5-N-dimethyl-4-oxopyridine-3,5-dicarboxamide with MolForge

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Related Compounds

1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxo-5-N-[(2S)-2-phenylpropyl]pyridine-3,5-dicarboxamide
CID 26343601
1-(cyclohexylmethyl)-5-N-[(3,4-difluorophenyl)methyl]-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide
CID 42164159
N-benzyl-N-butyl-2-iodobenzamide
CID 141495475
N-benzyl-N-butylpropanamide
CID 12502571
N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283
benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
3-N-benzyl-5-N-cyclooctyl-3-N-methyl-4-oxo-1-[[(2S)-oxolan-2-yl]methyl]pyridine-3,5-dicarboxamide
CID 26348037
N-benzyl-N-butyl-4-hydroxybutanamide
CID 139706995
N-benzyl-N-butyl-2-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98182241
N-benzyl-2-(dimethylamino)-N-dodecylacetamide
CID 172759301
1,1-dibenzyl-3-(cyclohexylmethyl)urea
CID 108902903
1-(cyclohexylmethyl)-5-N-ethyl-4-oxo-3-N-[phenyl(pyridin-4-yl)methyl]pyridine-3,5-dicarboxamide
CID 45226945

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-3-N-butyl-1-(cyclohexylmethyl)-5-N,5-N-dimethyl-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-benzyl-3-N-butyl-1-(cyclohexylmethyl)-5-N,5-N-dimethyl-4-oxopyridine-3,5-dicarboxamide (CID 26332084) is 3-N-benzyl-3-N-butyl-1-(cyclohexylmethyl)-5-N,5-N-dimethyl-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-3-N-butyl-1-(cyclohexylmethyl)-5-N,5-N-dimethyl-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-benzyl-3-N-butyl-1-(cyclohexylmethyl)-5-N,5-N-dimethyl-4-oxopyridine-3,5-dicarboxamide is CCCCN(Cc1ccccc1)C(=O)c1cn(CC2CCCCC2)cc(C(=O)N(C)C)c1=O.
What is the InChIKey of 3-N-benzyl-3-N-butyl-1-(cyclohexylmethyl)-5-N,5-N-dimethyl-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is DMQQQXJLROZYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O3/c1-4-5-16-30(18-22-14-10-7-11-15-22)27(33)24-20-29(17-21-12-8-6-9-13-21)19-23(25(24)31)26(32)28(2)3/h7,10-11,14-15,19-21H,4-6,8-9,12-13,16-18H2,1-3H3.
What are the key properties of 3-N-benzyl-3-N-butyl-1-(cyclohexylmethyl)-5-N,5-N-dimethyl-4-oxopyridine-3,5-dicarboxamide?
3-N-benzyl-3-N-butyl-1-(cyclohexylmethyl)-5-N,5-N-dimethyl-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 451.61 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-3-N-butyl-1-(cyclohexylmethyl)-5-N,5-N-dimethyl-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 26332084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).