N-cyclopropyl-3-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide

C20H22N4O2 — CID 70686958

IUPACN-cyclopropyl-3-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide
SMILESCOC(C)c1nnc2cc(-c3cc(C(=O)NC4CC4)ccc3C)ccn12
InChIInChI=1S/C20H22N4O2/c1-12-4-5-15(20(25)21-16-6-7-16)10-17(12)14-8-9-24-18(11-14)22-23-19(24)13(2)26-3/h4-5,8-11,13,16H,6-7H2,1-3H3,(H,21,25)
InChIKeyCTFINRCUYZLLMP-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.30
Rot. Bonds5

About N-cyclopropyl-3-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide

N-cyclopropyl-3-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide (PubChem CID 70686958) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide
PubChem CID70686958
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-cyclopropyl-3-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide
SMILESCOC(C)c1nnc2cc(-c3cc(C(=O)NC4CC4)ccc3C)ccn12
InChIInChI=1S/C20H22N4O2/c1-12-4-5-15(20(25)21-16-6-7-16)10-17(12)14-8-9-24-18(11-14)22-23-19(24)13(2)26-3/h4-5,8-11,13,16H,6-7H2,1-3H3,(H,21,25)
InChIKeyCTFINRCUYZLLMP-UHFFFAOYSA-N
XLogP3.30
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-3-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide (CID 70686958) is N-cyclopropyl-3-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide is COC(C)c1nnc2cc(-c3cc(C(=O)NC4CC4)ccc3C)ccn12.
What is the InChIKey of N-cyclopropyl-3-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
The InChIKey is CTFINRCUYZLLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-12-4-5-15(20(25)21-16-6-7-16)10-17(12)14-8-9-24-18(11-14)22-23-19(24)13(2)26-3/h4-5,8-11,13,16H,6-7H2,1-3H3,(H,21,25).
What are the key properties of N-cyclopropyl-3-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
N-cyclopropyl-3-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide has a molecular weight of 350.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide is sourced from PubChem (CID 70686958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).