N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide

C16H12F2N2O3 — CID 90577578

IUPACN-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC#CCOc1ccc(F)cc1F)c1ccc[nH]c1=O
InChIInChI=1S/C16H12F2N2O3/c17-11-5-6-14(13(18)10-11)23-9-2-1-7-19-15(21)12-4-3-8-20-16(12)22/h3-6,8,10H,7,9H2,(H,19,21)(H,20,22)
InChIKeyBTICBCTYRZQAOA-UHFFFAOYSA-N
MW318.28 g/mol
LogP1.47
Rot. Bonds4

About N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide

N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 90577578) has the molecular formula C16H12F2N2O3 and a molecular weight of 318.28 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID90577578
Molecular FormulaC16H12F2N2O3
Molecular Weight318.28 g/mol
Exact Mass318.08
IUPAC NameN-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC#CCOc1ccc(F)cc1F)c1ccc[nH]c1=O
InChIInChI=1S/C16H12F2N2O3/c17-11-5-6-14(13(18)10-11)23-9-2-1-7-19-15(21)12-4-3-8-20-16(12)22/h3-6,8,10H,7,9H2,(H,19,21)(H,20,22)
InChIKeyBTICBCTYRZQAOA-UHFFFAOYSA-N
XLogP1.47
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 94623859
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-3,5-dimethylbenzamide
CID 90577659
N-[3-(4-fluorophenyl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide
CID 90548030
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 90577595
4-bromo-N-[4-(2,4-difluorophenoxy)but-2-ynyl]benzamide
CID 90577685
ethyl 2-[4-(2,4-difluorophenoxy)but-2-ynylamino]-2-oxoacetate
CID 90577648
3-cyano-N-[4-(2,4-difluorophenoxy)but-2-ynyl]benzamide
CID 90577816
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90577593
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-(4-phenylphenyl)acetamide
CID 90577778
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 90577594
3-chloro-N-[4-(2,4-difluorophenoxy)but-2-ynyl]propanamide
CID 90577651
N-[4-(2,4-difluorophenoxy)but-2-ynyl]pentanamide
CID 90577630

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide (CID 90577578) is N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide is O=C(NCC#CCOc1ccc(F)cc1F)c1ccc[nH]c1=O.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BTICBCTYRZQAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3/c17-11-5-6-14(13(18)10-11)23-9-2-1-7-19-15(21)12-4-3-8-20-16(12)22/h3-6,8,10H,7,9H2,(H,19,21)(H,20,22).
What are the key properties of N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 318.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 90577578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).