N-(2,6-difluoro-3-pyridinyl)cyclopent-3-ene-1-carboxamide

C11H10F2N2O — CID 103097794

IUPACN-(2,6-difluoro-3-pyridinyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(Nc1ccc(F)nc1F)C1CC=CC1
InChIInChI=1S/C11H10F2N2O/c12-9-6-5-8(10(13)15-9)14-11(16)7-3-1-2-4-7/h1-2,5-7H,3-4H2,(H,14,16)
InChIKeyRVEVIWORHFMQFE-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.26
Rot. Bonds2

About N-(2,6-difluoro-3-pyridinyl)cyclopent-3-ene-1-carboxamide

N-(2,6-difluoro-3-pyridinyl)cyclopent-3-ene-1-carboxamide (PubChem CID 103097794) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)cyclopent-3-ene-1-carboxamide
PubChem CID103097794
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC NameN-(2,6-difluoro-3-pyridinyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(Nc1ccc(F)nc1F)C1CC=CC1
InChIInChI=1S/C11H10F2N2O/c12-9-6-5-8(10(13)15-9)14-11(16)7-3-1-2-4-7/h1-2,5-7H,3-4H2,(H,14,16)
InChIKeyRVEVIWORHFMQFE-UHFFFAOYSA-N
XLogP2.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.26
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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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-pyridinyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)cyclopent-3-ene-1-carboxamide (CID 103097794) is N-(2,6-difluoro-3-pyridinyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)cyclopent-3-ene-1-carboxamide is O=C(Nc1ccc(F)nc1F)C1CC=CC1.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is RVEVIWORHFMQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c12-9-6-5-8(10(13)15-9)14-11(16)7-3-1-2-4-7/h1-2,5-7H,3-4H2,(H,14,16).
What are the key properties of N-(2,6-difluoro-3-pyridinyl)cyclopent-3-ene-1-carboxamide?
N-(2,6-difluoro-3-pyridinyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 224.21 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 103097794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).