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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Related Compounds

1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
CID 48157449
Cinnamamide, alpha,beta-dimethyl-4-fluoro-N-(2-propynyl)-, (E)-
CID 3033181
3-Amino-4-(4I-fluoro benzylidene)-1H-pyrazol-5(4H)-one (1b)
CID 74983111
N-[1-(3,4-difluorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 17510777
2-oxo-N-(4-phenylbutan-2-yl)-1,2-dihydropyridine-3-carboxamide
CID 18107552
N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 27256590
3-acetyl-5-[(2,6-difluorophenyl)methyl]-1H-pyridin-2-one
CID 72712864
Styrylpyridinone
CID 69730311
N-[(4-fluorophenyl)methyl]-6-hydroxypyridine-3-carboxamide
CID 4801056
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 8244043
N-[2-(2-fluorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 39192446
6-oxo-N-(3-(3-(trifluoromethyl)phenyl)prop-2-yn-1-yl)-1,6-dihydropyridine-3-carboxamide
CID 40136439

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).