3-N-cycloheptyl-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide

C24H40N4O3 — CID 26341240

IUPAC3-N-cycloheptyl-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)n1cc(C(=O)NCC(C)(C)CN(C)C)c(=O)c(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C24H40N4O3/c1-17(2)28-13-19(22(30)25-15-24(3,4)16-27(5)6)21(29)20(14-28)23(31)26-18-11-9-7-8-10-12-18/h13-14,17-18H,7-12,15-16H2,1-6H3,(H,25,30)(H,26,31)
InChIKeyVKZDTHZVWSTURF-UHFFFAOYSA-N
MW432.61 g/mol
LogP3.20
Rot. Bonds8

About 3-N-cycloheptyl-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide

3-N-cycloheptyl-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 26341240) has the molecular formula C24H40N4O3 and a molecular weight of 432.61 g/mol. Its IUPAC name is 3-N-cycloheptyl-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-cycloheptyl-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
PubChem CID26341240
Molecular FormulaC24H40N4O3
Molecular Weight432.61 g/mol
Exact Mass432.31
IUPAC Name3-N-cycloheptyl-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)n1cc(C(=O)NCC(C)(C)CN(C)C)c(=O)c(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C24H40N4O3/c1-17(2)28-13-19(22(30)25-15-24(3,4)16-27(5)6)21(29)20(14-28)23(31)26-18-11-9-7-8-10-12-18/h13-14,17-18H,7-12,15-16H2,1-6H3,(H,25,30)(H,26,31)
InChIKeyVKZDTHZVWSTURF-UHFFFAOYSA-N
XLogP3.20
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-N-cycloheptyl-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cycloheptyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide
CID 42166830
5-N-cyclooctyl-1-(2-methylpropyl)-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 26363662
3-N-cyclohexyl-5-N-(2-hydroxybutyl)-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 45252429
5-N-(cyclohexylmethyl)-3-N-methyl-4-oxo-3-N-(2-phenylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 26345673
5-N-benzyl-3-N-(1-benzylpyrrolidin-3-yl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 45250841
N-cycloheptyl-5-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 26361626
5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26343862
3-N-cyclooctyl-4-oxo-5-N-(2-propan-2-yloxyethyl)-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 26343326
5-(2-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 45247281
N-cyclohexyl-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide
CID 46449832
4-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]-1-propan-2-ylpyridine-3-carboxylic acid
CID 118788697
5-bromo-N-cycloheptyl-1-methyl-4-oxopyridine-3-carboxamide
CID 138047443

Frequently Asked Questions

What is the IUPAC name of 3-N-cycloheptyl-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-cycloheptyl-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide (CID 26341240) is 3-N-cycloheptyl-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-cycloheptyl-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-cycloheptyl-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide is CC(C)n1cc(C(=O)NCC(C)(C)CN(C)C)c(=O)c(C(=O)NC2CCCCCC2)c1.
What is the InChIKey of 3-N-cycloheptyl-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
The InChIKey is VKZDTHZVWSTURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O3/c1-17(2)28-13-19(22(30)25-15-24(3,4)16-27(5)6)21(29)20(14-28)23(31)26-18-11-9-7-8-10-12-18/h13-14,17-18H,7-12,15-16H2,1-6H3,(H,25,30)(H,26,31).
What are the key properties of 3-N-cycloheptyl-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
3-N-cycloheptyl-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide has a molecular weight of 432.61 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cycloheptyl-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 26341240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).