6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide

C13H15ClN2O — CID 103842424

IUPAC6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCC1=CCCC1)c1ccc(Cl)nc1
InChIInChI=1S/C13H15ClN2O/c14-12-6-5-11(9-16-12)13(17)15-8-7-10-3-1-2-4-10/h3,5-6,9H,1-2,4,7-8H2,(H,15,17)
InChIKeyNJBIFAAHFZMYCK-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.97
Rot. Bonds4

About 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide

6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide (PubChem CID 103842424) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide
PubChem CID103842424
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCC1=CCCC1)c1ccc(Cl)nc1
InChIInChI=1S/C13H15ClN2O/c14-12-6-5-11(9-16-12)13(17)15-8-7-10-3-1-2-4-10/h3,5-6,9H,1-2,4,7-8H2,(H,15,17)
InChIKeyNJBIFAAHFZMYCK-UHFFFAOYSA-N
XLogP2.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide
CID 103842426
N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide
CID 114153830
6-(3-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 109152824
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-2-carboxamide
CID 103842433
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109152709
N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755256
4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045014
N-[2-(cyclohexen-1-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247071
3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109152684
2-(3-chloro-4-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-5-carboxamide
CID 109251104
N-[2-(cyclohexen-1-yl)ethyl]-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109152784

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide (CID 103842424) is 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide is O=C(NCCC1=CCCC1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is NJBIFAAHFZMYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c14-12-6-5-11(9-16-12)13(17)15-8-7-10-3-1-2-4-10/h3,5-6,9H,1-2,4,7-8H2,(H,15,17).
What are the key properties of 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide?
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 250.73 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 103842424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).