5-(4-fluorophenyl)-4-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carboxamide

C17H17FN2O3 — CID 135198150

IUPAC5-(4-fluorophenyl)-4-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carboxamide
SMILESNC(=O)c1cn(CC2CCOC2)cc(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C17H17FN2O3/c18-13-3-1-12(2-4-13)14-8-20(7-11-5-6-23-10-11)9-15(16(14)21)17(19)22/h1-4,8-9,11H,5-7,10H2,(H2,19,22)
InChIKeyMPVMQLCYJQSLII-UHFFFAOYSA-N
MW316.33 g/mol
LogP1.79
Rot. Bonds4

About 5-(4-fluorophenyl)-4-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carboxamide

5-(4-fluorophenyl)-4-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 135198150) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carboxamide
PubChem CID135198150
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name5-(4-fluorophenyl)-4-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carboxamide
SMILESNC(=O)c1cn(CC2CCOC2)cc(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C17H17FN2O3/c18-13-3-1-12(2-4-13)14-8-20(7-11-5-6-23-10-11)9-15(16(14)21)17(19)22/h1-4,8-9,11H,5-7,10H2,(H2,19,22)
InChIKeyMPVMQLCYJQSLII-UHFFFAOYSA-N
XLogP1.79
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-4-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carboxamide (CID 135198150) is 5-(4-fluorophenyl)-4-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-4-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-4-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carboxamide is NC(=O)c1cn(CC2CCOC2)cc(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 5-(4-fluorophenyl)-4-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is MPVMQLCYJQSLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c18-13-3-1-12(2-4-13)14-8-20(7-11-5-6-23-10-11)9-15(16(14)21)17(19)22/h1-4,8-9,11H,5-7,10H2,(H2,19,22).
What are the key properties of 5-(4-fluorophenyl)-4-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carboxamide?
5-(4-fluorophenyl)-4-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 316.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 135198150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).