N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride

C14H19ClN2O — CID 110755256

IUPACN-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1=CCCCC1)c1cccnc1
InChIInChI=1S/C14H18N2O.ClH/c17-14(13-7-4-9-15-11-13)16-10-8-12-5-2-1-3-6-12;/h4-5,7,9,11H,1-3,6,8,10H2,(H,16,17);1H
InChIKeyJHTOYVBRGKJZAF-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.12
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride

N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride (PubChem CID 110755256) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride
PubChem CID110755256
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1=CCCCC1)c1cccnc1
InChIInChI=1S/C14H18N2O.ClH/c17-14(13-7-4-9-15-11-13)16-10-8-12-5-2-1-3-6-12;/h4-5,7,9,11H,1-3,6,8,10H2,(H,16,17);1H
InChIKeyJHTOYVBRGKJZAF-UHFFFAOYSA-N
XLogP3.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293
N-[2-(cyclohexen-1-yl)ethyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109152795
N-[2-[[N'-[2-(cyclohexen-1-yl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111208445
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 9413786
N-[2-(cyclohexen-1-yl)ethyl]-3-hydroxypyridine-2-carboxamide
CID 113229799
N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001840
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101725
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(2,6-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109103351
N-[2-(cyclohexen-1-yl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223365
N-[2-(cyclohexen-1-yl)ethyl]-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109299486
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide
CID 103842424
2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 103751992

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride (CID 110755256) is N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride is Cl.O=C(NCCC1=CCCCC1)c1cccnc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is JHTOYVBRGKJZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.ClH/c17-14(13-7-4-9-15-11-13)16-10-8-12-5-2-1-3-6-12;/h4-5,7,9,11H,1-3,6,8,10H2,(H,16,17);1H.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride?
N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 110755256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).