N-[[4-[(2-methylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C19H21N5O — CID 164619771

IUPACN-[[4-[(2-methylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC1CCN1Cc1ccc(CNC(=O)c2ccc3nncn3c2)cc1
InChIInChI=1S/C19H21N5O/c1-14-8-9-23(14)11-16-4-2-15(3-5-16)10-20-19(25)17-6-7-18-22-21-13-24(18)12-17/h2-7,12-14H,8-11H2,1H3,(H,20,25)
InChIKeyWJQGHMVVAVQHFF-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.25
Rot. Bonds5

About N-[[4-[(2-methylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[[4-[(2-methylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 164619771) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[[4-[(2-methylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-methylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID164619771
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[[4-[(2-methylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC1CCN1Cc1ccc(CNC(=O)c2ccc3nncn3c2)cc1
InChIInChI=1S/C19H21N5O/c1-14-8-9-23(14)11-16-4-2-15(3-5-16)10-20-19(25)17-6-7-18-22-21-13-24(18)12-17/h2-7,12-14H,8-11H2,1H3,(H,20,25)
InChIKeyWJQGHMVVAVQHFF-UHFFFAOYSA-N
XLogP2.25
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-[(2-methylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 164619771) is N-[[4-[(2-methylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-[(2-methylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-[(2-methylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CC1CCN1Cc1ccc(CNC(=O)c2ccc3nncn3c2)cc1.
What is the InChIKey of N-[[4-[(2-methylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is WJQGHMVVAVQHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-8-9-23(14)11-16-4-2-15(3-5-16)10-20-19(25)17-6-7-18-22-21-13-24(18)12-17/h2-7,12-14H,8-11H2,1H3,(H,20,25).
What are the key properties of N-[[4-[(2-methylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[[4-[(2-methylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-methylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 164619771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).