5-[2-[1-(3-tert-butylcyclopentyl)piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide

C24H39N3O — CID 176560407

IUPAC5-[2-[1-(3-tert-butylcyclopentyl)piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(CCC2CCN(C3CCC(C(C)(C)C)C3)CC2)c(C)n1
InChIInChI=1S/C24H39N3O/c1-17-19(8-11-22(26-17)23(28)25-5)7-6-18-12-14-27(15-13-18)21-10-9-20(16-21)24(2,3)4/h8,11,18,20-21H,6-7,9-10,12-16H2,1-5H3,(H,25,28)
InChIKeyGHWVDHLURRIREE-UHFFFAOYSA-N
MW385.60 g/mol
LogP4.61
Rot. Bonds5

About 5-[2-[1-(3-tert-butylcyclopentyl)piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide

5-[2-[1-(3-tert-butylcyclopentyl)piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide (PubChem CID 176560407) has the molecular formula C24H39N3O and a molecular weight of 385.60 g/mol. Its IUPAC name is 5-[2-[1-(3-tert-butylcyclopentyl)piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[1-(3-tert-butylcyclopentyl)piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide
PubChem CID176560407
Molecular FormulaC24H39N3O
Molecular Weight385.60 g/mol
Exact Mass385.31
IUPAC Name5-[2-[1-(3-tert-butylcyclopentyl)piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(CCC2CCN(C3CCC(C(C)(C)C)C3)CC2)c(C)n1
InChIInChI=1S/C24H39N3O/c1-17-19(8-11-22(26-17)23(28)25-5)7-6-18-12-14-27(15-13-18)21-10-9-20(16-21)24(2,3)4/h8,11,18,20-21H,6-7,9-10,12-16H2,1-5H3,(H,25,28)
InChIKeyGHWVDHLURRIREE-UHFFFAOYSA-N
XLogP4.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.60
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-Dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
CID 24808495
4-N-cyclopropyl-2-N-methyl-6-[(1S)-1-phenylethyl]pyridine-2,4-dicarboxamide
CID 132185545
6-benzyl-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
CID 132186011
(2R)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-2,5-dioxo-6-pentan-3-ylpiperazin-1-yl]-2-(2,6-dimethyl-3-pyridinyl)-N,N-dimethylacetamide
CID 11554957
(2R)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-2,5-dioxo-6-pentan-3-ylpiperazin-1-yl]-2-(2,6-dimethyl-3-pyridinyl)-N-methylacetamide
CID 11691437
(2R)-2-{(3R,6R)-3-(2,3-Dihydro-1H-inden-2-yl)-6-[(1S)-1-methylpropyl]-2,5-dioxo-1-piperazinyl}-2-(2,6-dimethyl-3-pyridinyl)-N-methylethanamide
CID 11705315
(2R)-2-[(2R,5R)-2-[(2S)-butan-2-yl]-5-(2,3-dihydro-1H-inden-2-yl)-3,6-dioxopiperazin-1-yl]-2-(2,6-dimethyl-3-pyridinyl)-N,N-dimethylacetamide
CID 11719871
N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-2-carboxamide dihydrochloride
CID 14783879
N-[(3S)-1-[(1S,2R,4R)-2-acetamido-4-(tert-butylamino)cyclohexyl]-2-oxopyrrolidin-3-yl]-6-tert-butylpyridine-2-carboxamide
CID 91884571
Pyridine-2-carboxylic acid [3-(4-tert-butyl-benzoylamino)-propyl]-amide
CID 6490888
5-(aminomethyl)-N-cyclopropyl-4-(4-fluorophenyl)-6-methylpicolinamide
CID 51356957
(5-(Aminomethyl)-4-(4-fluorophenyl)-6-methylpyridin-2-yl)(pyrrolidin-1-yl)methanone
CID 51356958

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(3-tert-butylcyclopentyl)piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-[2-[1-(3-tert-butylcyclopentyl)piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide (CID 176560407) is 5-[2-[1-(3-tert-butylcyclopentyl)piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[1-(3-tert-butylcyclopentyl)piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-[1-(3-tert-butylcyclopentyl)piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide is CNC(=O)c1ccc(CCC2CCN(C3CCC(C(C)(C)C)C3)CC2)c(C)n1.
What is the InChIKey of 5-[2-[1-(3-tert-butylcyclopentyl)piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide?
The InChIKey is GHWVDHLURRIREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O/c1-17-19(8-11-22(26-17)23(28)25-5)7-6-18-12-14-27(15-13-18)21-10-9-20(16-21)24(2,3)4/h8,11,18,20-21H,6-7,9-10,12-16H2,1-5H3,(H,25,28).
What are the key properties of 5-[2-[1-(3-tert-butylcyclopentyl)piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide?
5-[2-[1-(3-tert-butylcyclopentyl)piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 385.60 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(3-tert-butylcyclopentyl)piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 176560407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).