N-[3-(4-fluorophenyl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide

C15H11FN2O2 — CID 90548030

IUPACN-[3-(4-fluorophenyl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC#Cc1ccc(F)cc1)c1ccc[nH]c1=O
InChIInChI=1S/C15H11FN2O2/c16-12-7-5-11(6-8-12)3-1-9-17-14(19)13-4-2-10-18-15(13)20/h2,4-8,10H,9H2,(H,17,19)(H,18,20)
InChIKeyLVYMTKQMVNIGRZ-UHFFFAOYSA-N
MW270.26 g/mol
LogP1.30
Rot. Bonds2

About N-[3-(4-fluorophenyl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide

N-[3-(4-fluorophenyl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 90548030) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID90548030
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC NameN-[3-(4-fluorophenyl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC#Cc1ccc(F)cc1)c1ccc[nH]c1=O
InChIInChI=1S/C15H11FN2O2/c16-12-7-5-11(6-8-12)3-1-9-17-14(19)13-4-2-10-18-15(13)20/h2,4-8,10H,9H2,(H,17,19)(H,18,20)
InChIKeyLVYMTKQMVNIGRZ-UHFFFAOYSA-N
XLogP1.30
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide (CID 90548030) is N-[3-(4-fluorophenyl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide is O=C(NCC#Cc1ccc(F)cc1)c1ccc[nH]c1=O.
What is the InChIKey of N-[3-(4-fluorophenyl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is LVYMTKQMVNIGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-12-7-5-11(6-8-12)3-1-9-17-14(19)13-4-2-10-18-15(13)20/h2,4-8,10H,9H2,(H,17,19)(H,18,20).
What are the key properties of N-[3-(4-fluorophenyl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[3-(4-fluorophenyl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 270.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 90548030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).