1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxo-5-N-[(2S)-2-phenylpropyl]pyridine-3,5-dicarboxamide

C25H33N3O3 — CID 26343601

IUPAC1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxo-5-N-[(2S)-2-phenylpropyl]pyridine-3,5-dicarboxamide
SMILESC[C@H](CNC(=O)c1cn(CC2CCCCC2)cc(C(=O)N(C)C)c1=O)c1ccccc1
InChIInChI=1S/C25H33N3O3/c1-18(20-12-8-5-9-13-20)14-26-24(30)21-16-28(15-19-10-6-4-7-11-19)17-22(23(21)29)25(31)27(2)3/h5,8-9,12-13,16-19H,4,6-7,10-11,14-15H2,1-3H3,(H,26,30)/t18-/m1/s1
InChIKeyNNLDXBVNOONICG-GOSISDBHSA-N
MW423.56 g/mol
LogP3.66
Rot. Bonds7

About 1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxo-5-N-[(2S)-2-phenylpropyl]pyridine-3,5-dicarboxamide

1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxo-5-N-[(2S)-2-phenylpropyl]pyridine-3,5-dicarboxamide (PubChem CID 26343601) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxo-5-N-[(2S)-2-phenylpropyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxo-5-N-[(2S)-2-phenylpropyl]pyridine-3,5-dicarboxamide
PubChem CID26343601
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxo-5-N-[(2S)-2-phenylpropyl]pyridine-3,5-dicarboxamide
SMILESC[C@H](CNC(=O)c1cn(CC2CCCCC2)cc(C(=O)N(C)C)c1=O)c1ccccc1
InChIInChI=1S/C25H33N3O3/c1-18(20-12-8-5-9-13-20)14-26-24(30)21-16-28(15-19-10-6-4-7-11-19)17-22(23(21)29)25(31)27(2)3/h5,8-9,12-13,16-19H,4,6-7,10-11,14-15H2,1-3H3,(H,26,30)/t18-/m1/s1
InChIKeyNNLDXBVNOONICG-GOSISDBHSA-N
XLogP3.66
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxo-5-N-[(2S)-2-phenylpropyl]pyridine-3,5-dicarboxamide with MolForge

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Related Compounds

1-(cyclohexylmethyl)-5-N-[(3,4-difluorophenyl)methyl]-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide
CID 42164159
1-(cyclohexylmethyl)-5-N-ethyl-4-oxo-3-N-[phenyl(pyridin-4-yl)methyl]pyridine-3,5-dicarboxamide
CID 45226945
3-N-benzyl-3-N-butyl-1-(cyclohexylmethyl)-5-N,5-N-dimethyl-4-oxopyridine-3,5-dicarboxamide
CID 26332084
5-N-(cyclohexylmethyl)-3-N-methyl-4-oxo-3-N-(2-phenylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 26345673
5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26343862
5-(cyclohexylsulfamoyl)-2-methyl-N-[(2S)-2-phenylpropyl]benzamide
CID 9301857
cyclopentyl N-(2-phenylpropyl)carbamate
CID 59093438
1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104592009
(3S)-1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104591978
3-N-butyl-1-cyclopentyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 26356747
1-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 26282384
(2R)-N-(cyclohexylmethyl)-2-(dimethylamino)-2-phenylacetamide
CID 100566223

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxo-5-N-[(2S)-2-phenylpropyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxo-5-N-[(2S)-2-phenylpropyl]pyridine-3,5-dicarboxamide (CID 26343601) is 1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxo-5-N-[(2S)-2-phenylpropyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxo-5-N-[(2S)-2-phenylpropyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxo-5-N-[(2S)-2-phenylpropyl]pyridine-3,5-dicarboxamide is C[C@H](CNC(=O)c1cn(CC2CCCCC2)cc(C(=O)N(C)C)c1=O)c1ccccc1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxo-5-N-[(2S)-2-phenylpropyl]pyridine-3,5-dicarboxamide?
The InChIKey is NNLDXBVNOONICG-GOSISDBHSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-18(20-12-8-5-9-13-20)14-26-24(30)21-16-28(15-19-10-6-4-7-11-19)17-22(23(21)29)25(31)27(2)3/h5,8-9,12-13,16-19H,4,6-7,10-11,14-15H2,1-3H3,(H,26,30)/t18-/m1/s1.
What are the key properties of 1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxo-5-N-[(2S)-2-phenylpropyl]pyridine-3,5-dicarboxamide?
1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxo-5-N-[(2S)-2-phenylpropyl]pyridine-3,5-dicarboxamide has a molecular weight of 423.56 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxo-5-N-[(2S)-2-phenylpropyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 26343601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).