N-(oxan-4-yl)-5-(2,3,4-trifluorophenyl)pyridine-2-carboxamide

C17H15F3N2O2 — CID 136571949

IUPACN-(oxan-4-yl)-5-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc(-c2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C17H15F3N2O2/c18-13-3-2-12(15(19)16(13)20)10-1-4-14(21-9-10)17(23)22-11-5-7-24-8-6-11/h1-4,9,11H,5-8H2,(H,22,23)
InChIKeyXVPZWZBXNOVXQX-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.07
Rot. Bonds3

About N-(oxan-4-yl)-5-(2,3,4-trifluorophenyl)pyridine-2-carboxamide

N-(oxan-4-yl)-5-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (PubChem CID 136571949) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-(oxan-4-yl)-5-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-5-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
PubChem CID136571949
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC NameN-(oxan-4-yl)-5-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc(-c2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C17H15F3N2O2/c18-13-3-2-12(15(19)16(13)20)10-1-4-14(21-9-10)17(23)22-11-5-7-24-8-6-11/h1-4,9,11H,5-8H2,(H,22,23)
InChIKeyXVPZWZBXNOVXQX-UHFFFAOYSA-N
XLogP3.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-5-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The IUPAC name of N-(oxan-4-yl)-5-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (CID 136571949) is N-(oxan-4-yl)-5-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-5-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-5-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is O=C(NC1CCOCC1)c1ccc(-c2ccc(F)c(F)c2F)cn1.
What is the InChIKey of N-(oxan-4-yl)-5-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The InChIKey is XVPZWZBXNOVXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c18-13-3-2-12(15(19)16(13)20)10-1-4-14(21-9-10)17(23)22-11-5-7-24-8-6-11/h1-4,9,11H,5-8H2,(H,22,23).
What are the key properties of N-(oxan-4-yl)-5-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
N-(oxan-4-yl)-5-(2,3,4-trifluorophenyl)pyridine-2-carboxamide has a molecular weight of 336.31 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-5-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 136571949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).