N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide

C14H13FN2O3 — CID 47441467

IUPACN-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC(O)c1cccc(F)c1)c1ccc[nH]c1=O
InChIInChI=1S/C14H13FN2O3/c15-10-4-1-3-9(7-10)12(18)8-17-14(20)11-5-2-6-16-13(11)19/h1-7,12,18H,8H2,(H,16,19)(H,17,20)
InChIKeyKEMHLGOVNSRFDB-UHFFFAOYSA-N
MW276.27 g/mol
LogP0.98
Rot. Bonds4

About N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide

N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 47441467) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID47441467
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC NameN-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC(O)c1cccc(F)c1)c1ccc[nH]c1=O
InChIInChI=1S/C14H13FN2O3/c15-10-4-1-3-9(7-10)12(18)8-17-14(20)11-5-2-6-16-13(11)19/h1-7,12,18H,8H2,(H,16,19)(H,17,20)
InChIKeyKEMHLGOVNSRFDB-UHFFFAOYSA-N
XLogP0.98
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 47441467) is N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide is O=C(NCC(O)c1cccc(F)c1)c1ccc[nH]c1=O.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KEMHLGOVNSRFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c15-10-4-1-3-9(7-10)12(18)8-17-14(20)11-5-2-6-16-13(11)19/h1-7,12,18H,8H2,(H,16,19)(H,17,20).
What are the key properties of N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 276.27 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47441467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).