6-[[3-(2-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methylazetidin-3-yl)pyridine-3-carboxamide

C20H21FN6O2 — CID 123308042

IUPAC6-[[3-(2-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methylazetidin-3-yl)pyridine-3-carboxamide
SMILESCc1nnn(-c2ccccc2F)c1COc1ccc(C(=O)NC2(C)CNC2)cn1
InChIInChI=1S/C20H21FN6O2/c1-13-17(27(26-25-13)16-6-4-3-5-15(16)21)10-29-18-8-7-14(9-23-18)19(28)24-20(2)11-22-12-20/h3-9,22H,10-12H2,1-2H3,(H,24,28)
InChIKeyVZEDOXQLSOWZIT-UHFFFAOYSA-N
MW396.43 g/mol
LogP1.78
Rot. Bonds6

About 6-[[3-(2-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methylazetidin-3-yl)pyridine-3-carboxamide

6-[[3-(2-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methylazetidin-3-yl)pyridine-3-carboxamide (PubChem CID 123308042) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is 6-[[3-(2-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methylazetidin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(2-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methylazetidin-3-yl)pyridine-3-carboxamide
PubChem CID123308042
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name6-[[3-(2-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methylazetidin-3-yl)pyridine-3-carboxamide
SMILESCc1nnn(-c2ccccc2F)c1COc1ccc(C(=O)NC2(C)CNC2)cn1
InChIInChI=1S/C20H21FN6O2/c1-13-17(27(26-25-13)16-6-4-3-5-15(16)21)10-29-18-8-7-14(9-23-18)19(28)24-20(2)11-22-12-20/h3-9,22H,10-12H2,1-2H3,(H,24,28)
InChIKeyVZEDOXQLSOWZIT-UHFFFAOYSA-N
XLogP1.78
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methylazetidin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[[3-(2-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methylazetidin-3-yl)pyridine-3-carboxamide (CID 123308042) is 6-[[3-(2-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methylazetidin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-(2-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methylazetidin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[3-(2-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methylazetidin-3-yl)pyridine-3-carboxamide is Cc1nnn(-c2ccccc2F)c1COc1ccc(C(=O)NC2(C)CNC2)cn1.
What is the InChIKey of 6-[[3-(2-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methylazetidin-3-yl)pyridine-3-carboxamide?
The InChIKey is VZEDOXQLSOWZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-13-17(27(26-25-13)16-6-4-3-5-15(16)21)10-29-18-8-7-14(9-23-18)19(28)24-20(2)11-22-12-20/h3-9,22H,10-12H2,1-2H3,(H,24,28).
What are the key properties of 6-[[3-(2-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methylazetidin-3-yl)pyridine-3-carboxamide?
6-[[3-(2-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methylazetidin-3-yl)pyridine-3-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(2-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methylazetidin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 123308042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).