N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide

C17H25N3O — CID 109165089

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCC2=CCCCC2)ccn1
InChIInChI=1S/C17H25N3O/c1-2-10-18-16-13-15(9-12-19-16)17(21)20-11-8-14-6-4-3-5-7-14/h6,9,12-13H,2-5,7-8,10-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyGAZGXQOJBWIVKU-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.52
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide (PubChem CID 109165089) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide
PubChem CID109165089
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCC2=CCCCC2)ccn1
InChIInChI=1S/C17H25N3O/c1-2-10-18-16-13-15(9-12-19-16)17(21)20-11-8-14-6-4-3-5-7-14/h6,9,12-13H,2-5,7-8,10-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyGAZGXQOJBWIVKU-UHFFFAOYSA-N
XLogP3.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109166642
2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109166672
2-[(4-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]pyridine-4-carboxamide
CID 109166574
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109166660
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyanilino)pyridine-4-carboxamide
CID 109166615
methyl 4-[[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109166628
N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyrimidine-5-carboxamide
CID 109246675
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109166702
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109166621
2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109166653
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[3-(dimethylamino)propyl]pyridine-2,4-dicarboxamide
CID 109081949
N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62170975

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide (CID 109165089) is N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)NCCC2=CCCCC2)ccn1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is GAZGXQOJBWIVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-10-18-16-13-15(9-12-19-16)17(21)20-11-8-14-6-4-3-5-7-14/h6,9,12-13H,2-5,7-8,10-11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109165089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).