5-N-(cyclohexylmethyl)-3-N-methyl-4-oxo-3-N-(2-phenylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide

C26H35N3O3 — CID 26345673

IUPAC5-N-(cyclohexylmethyl)-3-N-methyl-4-oxo-3-N-(2-phenylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)n1cc(C(=O)NCC2CCCCC2)c(=O)c(C(=O)N(C)CCc2ccccc2)c1
InChIInChI=1S/C26H35N3O3/c1-19(2)29-17-22(25(31)27-16-21-12-8-5-9-13-21)24(30)23(18-29)26(32)28(3)15-14-20-10-6-4-7-11-20/h4,6-7,10-11,17-19,21H,5,8-9,12-16H2,1-3H3,(H,27,31)
InChIKeyXVPMYINGSQCBPS-UHFFFAOYSA-N
MW437.58 g/mol
LogP4.05
Rot. Bonds8

About 5-N-(cyclohexylmethyl)-3-N-methyl-4-oxo-3-N-(2-phenylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide

5-N-(cyclohexylmethyl)-3-N-methyl-4-oxo-3-N-(2-phenylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 26345673) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 5-N-(cyclohexylmethyl)-3-N-methyl-4-oxo-3-N-(2-phenylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(cyclohexylmethyl)-3-N-methyl-4-oxo-3-N-(2-phenylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide
PubChem CID26345673
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name5-N-(cyclohexylmethyl)-3-N-methyl-4-oxo-3-N-(2-phenylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)n1cc(C(=O)NCC2CCCCC2)c(=O)c(C(=O)N(C)CCc2ccccc2)c1
InChIInChI=1S/C26H35N3O3/c1-19(2)29-17-22(25(31)27-16-21-12-8-5-9-13-21)24(30)23(18-29)26(32)28(3)15-14-20-10-6-4-7-11-20/h4,6-7,10-11,17-19,21H,5,8-9,12-16H2,1-3H3,(H,27,31)
InChIKeyXVPMYINGSQCBPS-UHFFFAOYSA-N
XLogP4.05
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-N-(cyclohexylmethyl)-3-N-methyl-4-oxo-3-N-(2-phenylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide with MolForge

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Related Compounds

N-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 42345402
1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxo-5-N-[(2S)-2-phenylpropyl]pyridine-3,5-dicarboxamide
CID 26343601
methyl (2R)-1-[5-(benzylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate
CID 25365815
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea
CID 87007292
3-N-[(3R)-1-benzylpyrrolidin-3-yl]-5-N-(cyclohexylmethyl)-1-cyclopropyl-4-oxopyridine-3,5-dicarboxamide
CID 42246750
3-N-(1-benzylpyrrolidin-3-yl)-5-N-(cyclohexylmethyl)-1-cyclopropyl-4-oxopyridine-3,5-dicarboxamide
CID 45169086
3-N-cycloheptyl-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 26341240
3-N-butyl-1-cyclopentyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 26356747
(2R)-N-(cyclohexylmethyl)-2-(dimethylamino)-2-phenylacetamide
CID 100566223
5-N-benzyl-3-N-(1-benzylpyrrolidin-3-yl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 45250841
5-N-(cyclohexylmethyl)-1-cyclopropyl-3-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxopyridine-3,5-dicarboxamide
CID 45205721

Frequently Asked Questions

What is the IUPAC name of 5-N-(cyclohexylmethyl)-3-N-methyl-4-oxo-3-N-(2-phenylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(cyclohexylmethyl)-3-N-methyl-4-oxo-3-N-(2-phenylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide (CID 26345673) is 5-N-(cyclohexylmethyl)-3-N-methyl-4-oxo-3-N-(2-phenylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(cyclohexylmethyl)-3-N-methyl-4-oxo-3-N-(2-phenylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(cyclohexylmethyl)-3-N-methyl-4-oxo-3-N-(2-phenylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide is CC(C)n1cc(C(=O)NCC2CCCCC2)c(=O)c(C(=O)N(C)CCc2ccccc2)c1.
What is the InChIKey of 5-N-(cyclohexylmethyl)-3-N-methyl-4-oxo-3-N-(2-phenylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide?
The InChIKey is XVPMYINGSQCBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-19(2)29-17-22(25(31)27-16-21-12-8-5-9-13-21)24(30)23(18-29)26(32)28(3)15-14-20-10-6-4-7-11-20/h4,6-7,10-11,17-19,21H,5,8-9,12-16H2,1-3H3,(H,27,31).
What are the key properties of 5-N-(cyclohexylmethyl)-3-N-methyl-4-oxo-3-N-(2-phenylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide?
5-N-(cyclohexylmethyl)-3-N-methyl-4-oxo-3-N-(2-phenylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide has a molecular weight of 437.58 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(cyclohexylmethyl)-3-N-methyl-4-oxo-3-N-(2-phenylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 26345673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).