N-benzyl-2-(3-fluorophenoxy)pyridine-3-carboxamide

C19H15FN2O2 — CID 14555262

IUPACN-benzyl-2-(3-fluorophenoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cccnc1Oc1cccc(F)c1
InChIInChI=1S/C19H15FN2O2/c20-15-8-4-9-16(12-15)24-19-17(10-5-11-21-19)18(23)22-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23)
InChIKeyKQUXIWCKLIRVAU-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.94
Rot. Bonds5

About N-benzyl-2-(3-fluorophenoxy)pyridine-3-carboxamide

N-benzyl-2-(3-fluorophenoxy)pyridine-3-carboxamide (PubChem CID 14555262) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is N-benzyl-2-(3-fluorophenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(3-fluorophenoxy)pyridine-3-carboxamide
PubChem CID14555262
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC NameN-benzyl-2-(3-fluorophenoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cccnc1Oc1cccc(F)c1
InChIInChI=1S/C19H15FN2O2/c20-15-8-4-9-16(12-15)24-19-17(10-5-11-21-19)18(23)22-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23)
InChIKeyKQUXIWCKLIRVAU-UHFFFAOYSA-N
XLogP3.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-fluorophenoxy)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-2-(3-fluorophenoxy)pyridine-3-carboxamide (CID 14555262) is N-benzyl-2-(3-fluorophenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-2-(3-fluorophenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-2-(3-fluorophenoxy)pyridine-3-carboxamide is O=C(NCc1ccccc1)c1cccnc1Oc1cccc(F)c1.
What is the InChIKey of N-benzyl-2-(3-fluorophenoxy)pyridine-3-carboxamide?
The InChIKey is KQUXIWCKLIRVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c20-15-8-4-9-16(12-15)24-19-17(10-5-11-21-19)18(23)22-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23).
What are the key properties of N-benzyl-2-(3-fluorophenoxy)pyridine-3-carboxamide?
N-benzyl-2-(3-fluorophenoxy)pyridine-3-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-fluorophenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 14555262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).