N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

C21H19FN2O2S — CID 55757741

IUPACN-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESO=C(NCCCSc1ccc(F)cc1)c1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C21H19FN2O2S/c22-16-7-9-17(10-8-16)27-14-4-13-23-20(25)18-11-12-19(24-21(18)26)15-5-2-1-3-6-15/h1-3,5-12H,4,13-14H2,(H,23,25)(H,24,26)
InChIKeyCOGYCAIABWCKQF-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.09
Rot. Bonds7

About N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (PubChem CID 55757741) has the molecular formula C21H19FN2O2S and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
PubChem CID55757741
Molecular FormulaC21H19FN2O2S
Molecular Weight382.46 g/mol
Exact Mass382.12
IUPAC NameN-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESO=C(NCCCSc1ccc(F)cc1)c1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C21H19FN2O2S/c22-16-7-9-17(10-8-16)27-14-4-13-23-20(25)18-11-12-19(24-21(18)26)15-5-2-1-3-6-15/h1-3,5-12H,4,13-14H2,(H,23,25)(H,24,26)
InChIKeyCOGYCAIABWCKQF-UHFFFAOYSA-N
XLogP4.09
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylphenyl)sulfanylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55756725
N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 129350671
N-(2-cyanoethyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491034
N-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide
CID 27802085
N-[2-(4-fluorophenyl)ethyl]-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497514
2-oxo-6-phenyl-1H-pyridine-3-carbohydrazide
CID 82521335
N-[3-(furan-2-yl)propyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66497554
5-fluoro-N-(3-phenylsulfanylpropyl)-1H-indole-2-carboxamide
CID 38572594
6-(4-fluorophenyl)-N-[2-(furan-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 66497779
3-benzamido-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methylbenzamide
CID 46410167
2-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide
CID 26635822
6-fluoro-N-[3-(4-fluorophenyl)sulfanylpropyl]-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
CID 78905166

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (CID 55757741) is N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is O=C(NCCCSc1ccc(F)cc1)c1ccc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is COGYCAIABWCKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2S/c22-16-7-9-17(10-8-16)27-14-4-13-23-20(25)18-11-12-19(24-21(18)26)15-5-2-1-3-6-15/h1-3,5-12H,4,13-14H2,(H,23,25)(H,24,26).
What are the key properties of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 55757741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).