N-[2-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

C14H13FN2O2 — CID 41365112

IUPACN-[2-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1cccc(F)c1)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H13FN2O2/c15-12-3-1-2-10(8-12)6-7-16-14(19)11-4-5-13(18)17-9-11/h1-5,8-9H,6-7H2,(H,16,19)(H,17,18)
InChIKeyWEIUKSJUSXTHKC-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.49
Rot. Bonds4

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

N-[2-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 41365112) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID41365112
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1cccc(F)c1)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H13FN2O2/c15-12-3-1-2-10(8-12)6-7-16-14(19)11-4-5-13(18)17-9-11/h1-5,8-9H,6-7H2,(H,16,19)(H,17,18)
InChIKeyWEIUKSJUSXTHKC-UHFFFAOYSA-N
XLogP1.49
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 41365112) is N-[2-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NCCc1cccc(F)c1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WEIUKSJUSXTHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-12-3-1-2-10(8-12)6-7-16-14(19)11-4-5-13(18)17-9-11/h1-5,8-9H,6-7H2,(H,16,19)(H,17,18).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[2-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 260.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 41365112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).