N-cyclopropyl-4-methyl-3-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide

C21H22N4O — CID 25059322

IUPACN-cyclopropyl-4-methyl-3-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(C3(C)CC3)nnc2c1
InChIInChI=1S/C21H22N4O/c1-13-3-4-15(19(26)22-16-5-6-16)11-17(13)14-7-10-25-18(12-14)23-24-20(25)21(2)8-9-21/h3-4,7,10-12,16H,5-6,8-9H2,1-2H3,(H,22,26)
InChIKeyGHUGNRKOFHYTON-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.65
Rot. Bonds4

About N-cyclopropyl-4-methyl-3-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide

N-cyclopropyl-4-methyl-3-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide (PubChem CID 25059322) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide
PubChem CID25059322
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-cyclopropyl-4-methyl-3-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(C3(C)CC3)nnc2c1
InChIInChI=1S/C21H22N4O/c1-13-3-4-15(19(26)22-16-5-6-16)11-17(13)14-7-10-25-18(12-14)23-24-20(25)21(2)8-9-21/h3-4,7,10-12,16H,5-6,8-9H2,1-2H3,(H,22,26)
InChIKeyGHUGNRKOFHYTON-UHFFFAOYSA-N
XLogP3.65
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide (CID 25059322) is N-cyclopropyl-4-methyl-3-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(C3(C)CC3)nnc2c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide?
The InChIKey is GHUGNRKOFHYTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-13-3-4-15(19(26)22-16-5-6-16)11-17(13)14-7-10-25-18(12-14)23-24-20(25)21(2)8-9-21/h3-4,7,10-12,16H,5-6,8-9H2,1-2H3,(H,22,26).
What are the key properties of N-cyclopropyl-4-methyl-3-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide?
N-cyclopropyl-4-methyl-3-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide has a molecular weight of 346.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide is sourced from PubChem (CID 25059322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).