4-chloro-N-cyclopent-3-en-1-ylpyridine-2-carboxamide

C11H11ClN2O — CID 115696706

IUPAC4-chloro-N-cyclopent-3-en-1-ylpyridine-2-carboxamide
SMILESO=C(NC1CC=CC1)c1cc(Cl)ccn1
InChIInChI=1S/C11H11ClN2O/c12-8-5-6-13-10(7-8)11(15)14-9-3-1-2-4-9/h1-2,5-7,9H,3-4H2,(H,14,15)
InChIKeyLTIXHLMUEIHMNL-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.18
Rot. Bonds2

About 4-chloro-N-cyclopent-3-en-1-ylpyridine-2-carboxamide

4-chloro-N-cyclopent-3-en-1-ylpyridine-2-carboxamide (PubChem CID 115696706) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 4-chloro-N-cyclopent-3-en-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-cyclopent-3-en-1-ylpyridine-2-carboxamide
PubChem CID115696706
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name4-chloro-N-cyclopent-3-en-1-ylpyridine-2-carboxamide
SMILESO=C(NC1CC=CC1)c1cc(Cl)ccn1
InChIInChI=1S/C11H11ClN2O/c12-8-5-6-13-10(7-8)11(15)14-9-3-1-2-4-9/h1-2,5-7,9H,3-4H2,(H,14,15)
InChIKeyLTIXHLMUEIHMNL-UHFFFAOYSA-N
XLogP2.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.18
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

4-chloro-N-(3-methylcyclohexyl)pyridine-2-carboxamide
CID 43244106
4-chloro-N-(3-methylsulfanylcyclopentyl)pyridine-2-carboxamide
CID 103708467
4-chloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-2-carboxamide
CID 79005580
4-chloro-N-hydroxypyridine-2-carboxamide
CID 83381234
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide
CID 9488581
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide
CID 60707818
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 32584074
4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 64669402
4-chloro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 86991925
4-chloro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide
CID 82725262
2-(cyclohex-3-en-1-ylcarbamoyl)pyridine-4-carboxylic acid
CID 122055718
(4-chloropyridine-2-carbonyl)carbamic acid
CID 174620541

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopent-3-en-1-ylpyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-cyclopent-3-en-1-ylpyridine-2-carboxamide (CID 115696706) is 4-chloro-N-cyclopent-3-en-1-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-cyclopent-3-en-1-ylpyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-cyclopent-3-en-1-ylpyridine-2-carboxamide is O=C(NC1CC=CC1)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-cyclopent-3-en-1-ylpyridine-2-carboxamide?
The InChIKey is LTIXHLMUEIHMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-8-5-6-13-10(7-8)11(15)14-9-3-1-2-4-9/h1-2,5-7,9H,3-4H2,(H,14,15).
What are the key properties of 4-chloro-N-cyclopent-3-en-1-ylpyridine-2-carboxamide?
4-chloro-N-cyclopent-3-en-1-ylpyridine-2-carboxamide has a molecular weight of 222.68 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopent-3-en-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 115696706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).