N-[4-[azetidin-3-yl(methyl)amino]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C17H17F3N4O — CID 118903326

IUPACN-[4-[azetidin-3-yl(methyl)amino]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCN(c1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1)C1CNC1
InChIInChI=1S/C17H17F3N4O/c1-24(14-9-21-10-14)13-4-2-12(3-5-13)23-16(25)11-6-7-22-15(8-11)17(18,19)20/h2-8,14,21H,9-10H2,1H3,(H,23,25)
InChIKeyDKVCWFGPFLYJIB-UHFFFAOYSA-N
MW350.34 g/mol
LogP2.76
Rot. Bonds4

About N-[4-[azetidin-3-yl(methyl)amino]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[4-[azetidin-3-yl(methyl)amino]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 118903326) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is N-[4-[azetidin-3-yl(methyl)amino]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[azetidin-3-yl(methyl)amino]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID118903326
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC NameN-[4-[azetidin-3-yl(methyl)amino]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCN(c1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1)C1CNC1
InChIInChI=1S/C17H17F3N4O/c1-24(14-9-21-10-14)13-4-2-12(3-5-13)23-16(25)11-6-7-22-15(8-11)17(18,19)20/h2-8,14,21H,9-10H2,1H3,(H,23,25)
InChIKeyDKVCWFGPFLYJIB-UHFFFAOYSA-N
XLogP2.76
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[azetidin-3-yl(methyl)amino]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[4-[azetidin-3-yl(methyl)amino]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 118903326) is N-[4-[azetidin-3-yl(methyl)amino]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[azetidin-3-yl(methyl)amino]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[4-[azetidin-3-yl(methyl)amino]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is CN(c1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1)C1CNC1.
What is the InChIKey of N-[4-[azetidin-3-yl(methyl)amino]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is DKVCWFGPFLYJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O/c1-24(14-9-21-10-14)13-4-2-12(3-5-13)23-16(25)11-6-7-22-15(8-11)17(18,19)20/h2-8,14,21H,9-10H2,1H3,(H,23,25).
What are the key properties of N-[4-[azetidin-3-yl(methyl)amino]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[4-[azetidin-3-yl(methyl)amino]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[azetidin-3-yl(methyl)amino]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 118903326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).