N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide

C19H29N3O — CID 113010230

IUPACN-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(NCCC2=CCCCC2)nc1
InChIInChI=1S/C19H29N3O/c1-3-16(4-2)19(23)22-17-10-11-18(21-14-17)20-13-12-15-8-6-5-7-9-15/h8,10-11,14,16H,3-7,9,12-13H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyXLFJMNMHEZUXHK-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.76
Rot. Bonds8

About N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide

N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide (PubChem CID 113010230) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide
PubChem CID113010230
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(NCCC2=CCCCC2)nc1
InChIInChI=1S/C19H29N3O/c1-3-16(4-2)19(23)22-17-10-11-18(21-14-17)20-13-12-15-8-6-5-7-9-15/h8,10-11,14,16H,3-7,9,12-13H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyXLFJMNMHEZUXHK-UHFFFAOYSA-N
XLogP4.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide 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

1-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3-phenylurea
CID 113010275
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-methylbenzamide
CID 113010234
2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide
CID 113009034
2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903437
ethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate
CID 113024981
N-[2-(cyclohexen-1-yl)ethyl]-5-hydrazinylpyridin-2-amine
CID 82055043
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3,4-difluorobenzamide
CID 113010267
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995
2-ethyl-N-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]butanamide
CID 113013197
6-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-3-carboxamide
CID 109152727
2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide
CID 115268467
6-[2-(cyclopenten-1-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103844277

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide?
The IUPAC name of N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide (CID 113010230) is N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide.
What is the SMILES notation for N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide?
The canonical SMILES for N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide is CCC(CC)C(=O)Nc1ccc(NCCC2=CCCCC2)nc1.
What is the InChIKey of N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide?
The InChIKey is XLFJMNMHEZUXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-3-16(4-2)19(23)22-17-10-11-18(21-14-17)20-13-12-15-8-6-5-7-9-15/h8,10-11,14,16H,3-7,9,12-13H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide?
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide has a molecular weight of 315.46 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide is sourced from PubChem (CID 113010230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).