4-[6-[2-cyclohexylethyl(methyl)amino]pyridine-3-carbonyl]-N-pyridin-3-ylpiperazine-1-carboxamide

C25H34N6O2 — CID 67313207

IUPAC4-[6-[2-cyclohexylethyl(methyl)amino]pyridine-3-carbonyl]-N-pyridin-3-ylpiperazine-1-carboxamide
SMILESCN(CCC1CCCCC1)c1ccc(C(=O)N2CCN(C(=O)Nc3cccnc3)CC2)cn1
InChIInChI=1S/C25H34N6O2/c1-29(13-11-20-6-3-2-4-7-20)23-10-9-21(18-27-23)24(32)30-14-16-31(17-15-30)25(33)28-22-8-5-12-26-19-22/h5,8-10,12,18-20H,2-4,6-7,11,13-17H2,1H3,(H,28,33)
InChIKeyUQDIQSVQZFCYAI-UHFFFAOYSA-N
MW450.59 g/mol
LogP3.87
Rot. Bonds6

About 4-[6-[2-cyclohexylethyl(methyl)amino]pyridine-3-carbonyl]-N-pyridin-3-ylpiperazine-1-carboxamide

4-[6-[2-cyclohexylethyl(methyl)amino]pyridine-3-carbonyl]-N-pyridin-3-ylpiperazine-1-carboxamide (PubChem CID 67313207) has the molecular formula C25H34N6O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 4-[6-[2-cyclohexylethyl(methyl)amino]pyridine-3-carbonyl]-N-pyridin-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-[2-cyclohexylethyl(methyl)amino]pyridine-3-carbonyl]-N-pyridin-3-ylpiperazine-1-carboxamide
PubChem CID67313207
Molecular FormulaC25H34N6O2
Molecular Weight450.59 g/mol
Exact Mass450.27
IUPAC Name4-[6-[2-cyclohexylethyl(methyl)amino]pyridine-3-carbonyl]-N-pyridin-3-ylpiperazine-1-carboxamide
SMILESCN(CCC1CCCCC1)c1ccc(C(=O)N2CCN(C(=O)Nc3cccnc3)CC2)cn1
InChIInChI=1S/C25H34N6O2/c1-29(13-11-20-6-3-2-4-7-20)23-10-9-21(18-27-23)24(32)30-14-16-31(17-15-30)25(33)28-22-8-5-12-26-19-22/h5,8-10,12,18-20H,2-4,6-7,11,13-17H2,1H3,(H,28,33)
InChIKeyUQDIQSVQZFCYAI-UHFFFAOYSA-N
XLogP3.87
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[6-[2-cyclohexylethyl(methyl)amino]pyridine-3-carbonyl]-N-pyridin-3-ylpiperazine-1-carboxamide 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

4-[4-(2-cyclohexylethylamino)benzoyl]-N-pyridin-3-ylpiperazine-1-carboxamide
CID 70997266
[6-[methyl(propyl)amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56743978
[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56746243
[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56754313
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
[6-[2-cyclopropylethyl(methyl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133398579
4-[4-(hydroxyamino)-4-oxobutyl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 11849007
N-pyridin-3-yl-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47050086
3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 90521330
[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45229742
[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 28956848
(4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone
CID 53149742

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-cyclohexylethyl(methyl)amino]pyridine-3-carbonyl]-N-pyridin-3-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[6-[2-cyclohexylethyl(methyl)amino]pyridine-3-carbonyl]-N-pyridin-3-ylpiperazine-1-carboxamide (CID 67313207) is 4-[6-[2-cyclohexylethyl(methyl)amino]pyridine-3-carbonyl]-N-pyridin-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[6-[2-cyclohexylethyl(methyl)amino]pyridine-3-carbonyl]-N-pyridin-3-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[6-[2-cyclohexylethyl(methyl)amino]pyridine-3-carbonyl]-N-pyridin-3-ylpiperazine-1-carboxamide is CN(CCC1CCCCC1)c1ccc(C(=O)N2CCN(C(=O)Nc3cccnc3)CC2)cn1.
What is the InChIKey of 4-[6-[2-cyclohexylethyl(methyl)amino]pyridine-3-carbonyl]-N-pyridin-3-ylpiperazine-1-carboxamide?
The InChIKey is UQDIQSVQZFCYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2/c1-29(13-11-20-6-3-2-4-7-20)23-10-9-21(18-27-23)24(32)30-14-16-31(17-15-30)25(33)28-22-8-5-12-26-19-22/h5,8-10,12,18-20H,2-4,6-7,11,13-17H2,1H3,(H,28,33).
What are the key properties of 4-[6-[2-cyclohexylethyl(methyl)amino]pyridine-3-carbonyl]-N-pyridin-3-ylpiperazine-1-carboxamide?
4-[6-[2-cyclohexylethyl(methyl)amino]pyridine-3-carbonyl]-N-pyridin-3-ylpiperazine-1-carboxamide has a molecular weight of 450.59 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-cyclohexylethyl(methyl)amino]pyridine-3-carbonyl]-N-pyridin-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 67313207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).