6-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C17H17FN2O2 — CID 53010813

IUPAC6-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C17H17FN2O2/c18-14-4-1-3-12(9-14)16-7-6-13(10-19-16)17(21)20-11-15-5-2-8-22-15/h1,3-4,6-7,9-10,15H,2,5,8,11H2,(H,20,21)
InChIKeyHKOYWWZOIIXGGZ-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.80
Rot. Bonds4

About 6-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

6-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 53010813) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID53010813
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name6-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C17H17FN2O2/c18-14-4-1-3-12(9-14)16-7-6-13(10-19-16)17(21)20-11-15-5-2-8-22-15/h1,3-4,6-7,9-10,15H,2,5,8,11H2,(H,20,21)
InChIKeyHKOYWWZOIIXGGZ-UHFFFAOYSA-N
XLogP2.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 53010813) is 6-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CCCO1)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 6-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is HKOYWWZOIIXGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-14-4-1-3-12(9-14)16-7-6-13(10-19-16)17(21)20-11-15-5-2-8-22-15/h1,3-4,6-7,9-10,15H,2,5,8,11H2,(H,20,21).
What are the key properties of 6-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 300.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 53010813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).