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

C13H15ClN2O — CID 103842433

IUPAC6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCC1=CCCC1)c1cccc(Cl)n1
InChIInChI=1S/C13H15ClN2O/c14-12-7-3-6-11(16-12)13(17)15-9-8-10-4-1-2-5-10/h3-4,6-7H,1-2,5,8-9H2,(H,15,17)
InChIKeyYBICEVVKBQARJZ-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.97
Rot. Bonds4

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

6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-2-carboxamide (PubChem CID 103842433) 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-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-2-carboxamide
PubChem CID103842433
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCC1=CCCC1)c1cccc(Cl)n1
InChIInChI=1S/C13H15ClN2O/c14-12-7-3-6-11(16-12)13(17)15-9-8-10-4-1-2-5-10/h3-4,6-7H,1-2,5,8-9H2,(H,15,17)
InChIKeyYBICEVVKBQARJZ-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

2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-phenylpyridine-2,6-dicarboxamide
CID 109095600
6-N-tert-butyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide
CID 109095591
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109095616
6-N-cycloheptyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide
CID 109095592
1-chloro-N-[2-(cyclopenten-1-yl)ethyl]isoquinoline-3-carboxamide
CID 106173624
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2,3-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109095612
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide
CID 103842424
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 874393
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109095559
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinoline-4-carboxamide
CID 103842397
6-chloro-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 55052305
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-2-carboxamide (CID 103842433) is 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-2-carboxamide is O=C(NCCC1=CCCC1)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is YBICEVVKBQARJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c14-12-7-3-6-11(16-12)13(17)15-9-8-10-4-1-2-5-10/h3-4,6-7H,1-2,5,8-9H2,(H,15,17).
What are the key properties of 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-2-carboxamide?
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-2-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-2-carboxamide is sourced from PubChem (CID 103842433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).