N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-6-oxo-1H-pyridine-3-carboxamide

C15H12FN3O2 — CID 65437841

IUPACN-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESNCC#Cc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1F
InChIInChI=1S/C15H12FN3O2/c16-13-8-12(5-3-10(13)2-1-7-17)19-15(21)11-4-6-14(20)18-9-11/h3-6,8-9H,7,17H2,(H,18,20)(H,19,21)
InChIKeyZRTCIXDSDMVBPS-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.08
Rot. Bonds2

About N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-6-oxo-1H-pyridine-3-carboxamide

N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 65437841) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID65437841
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESNCC#Cc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1F
InChIInChI=1S/C15H12FN3O2/c16-13-8-12(5-3-10(13)2-1-7-17)19-15(21)11-4-6-14(20)18-9-11/h3-6,8-9H,7,17H2,(H,18,20)(H,19,21)
InChIKeyZRTCIXDSDMVBPS-UHFFFAOYSA-N
XLogP1.08
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 65434489
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide
CID 65436068
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylfuran-3-carboxamide
CID 114822220
N-(4-bromo-3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 65435783
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
CID 65435106
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1,2-oxazole-3-carboxamide
CID 65435499
N-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 8745096
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 65436071
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-methylthiophene-3-carboxamide
CID 79807484
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1-ethylpyrrole-2-carboxamide
CID 65435488
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(1,2-oxazol-4-yl)benzamide
CID 62915077
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 60814218

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-6-oxo-1H-pyridine-3-carboxamide (CID 65437841) is N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-6-oxo-1H-pyridine-3-carboxamide is NCC#Cc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1F.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZRTCIXDSDMVBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-13-8-12(5-3-10(13)2-1-7-17)19-15(21)11-4-6-14(20)18-9-11/h3-6,8-9H,7,17H2,(H,18,20)(H,19,21).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 285.28 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 65437841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).