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

C21H22N4O — CID 25059576

IUPAC3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(C3CCC3)nnc2c1
InChIInChI=1S/C21H22N4O/c1-13-5-6-16(21(26)22-17-7-8-17)11-18(13)15-9-10-25-19(12-15)23-24-20(25)14-3-2-4-14/h5-6,9-12,14,17H,2-4,7-8H2,1H3,(H,22,26)
InChIKeyQMQGZXVMSWKCSP-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.86
Rot. Bonds4

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

3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide (PubChem CID 25059576) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide
PubChem CID25059576
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(C3CCC3)nnc2c1
InChIInChI=1S/C21H22N4O/c1-13-5-6-16(21(26)22-17-7-8-17)11-18(13)15-9-10-25-19(12-15)23-24-20(25)14-3-2-4-14/h5-6,9-12,14,17H,2-4,7-8H2,1H3,(H,22,26)
InChIKeyQMQGZXVMSWKCSP-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide (CID 25059576) is 3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(C3CCC3)nnc2c1.
What is the InChIKey of 3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide?
The InChIKey is QMQGZXVMSWKCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-13-5-6-16(21(26)22-17-7-8-17)11-18(13)15-9-10-25-19(12-15)23-24-20(25)14-3-2-4-14/h5-6,9-12,14,17H,2-4,7-8H2,1H3,(H,22,26).
What are the key properties of 3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide?
3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide has a molecular weight of 346.43 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 25059576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).