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

C25H24N4O — CID 66671352

IUPACN-cyclopropyl-3-[3-(2-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide
SMILESCCc1ccccc1-c1nnc2cc(-c3cc(C(=O)NC4CC4)ccc3C)ccn12
InChIInChI=1S/C25H24N4O/c1-3-17-6-4-5-7-21(17)24-28-27-23-15-18(12-13-29(23)24)22-14-19(9-8-16(22)2)25(30)26-20-10-11-20/h4-9,12-15,20H,3,10-11H2,1-2H3,(H,26,30)
InChIKeyGCBPRUIAZJKUHB-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.83
Rot. Bonds5

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

N-cyclopropyl-3-[3-(2-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide (PubChem CID 66671352) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-(2-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-(2-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide
PubChem CID66671352
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-cyclopropyl-3-[3-(2-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide
SMILESCCc1ccccc1-c1nnc2cc(-c3cc(C(=O)NC4CC4)ccc3C)ccn12
InChIInChI=1S/C25H24N4O/c1-3-17-6-4-5-7-21(17)24-28-27-23-15-18(12-13-29(23)24)22-14-19(9-8-16(22)2)25(30)26-20-10-11-20/h4-9,12-15,20H,3,10-11H2,1-2H3,(H,26,30)
InChIKeyGCBPRUIAZJKUHB-UHFFFAOYSA-N
XLogP4.83
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-(2-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[3-(2-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide (CID 66671352) is N-cyclopropyl-3-[3-(2-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[3-(2-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[3-(2-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide is CCc1ccccc1-c1nnc2cc(-c3cc(C(=O)NC4CC4)ccc3C)ccn12.
What is the InChIKey of N-cyclopropyl-3-[3-(2-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
The InChIKey is GCBPRUIAZJKUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-3-17-6-4-5-7-21(17)24-28-27-23-15-18(12-13-29(23)24)22-14-19(9-8-16(22)2)25(30)26-20-10-11-20/h4-9,12-15,20H,3,10-11H2,1-2H3,(H,26,30).
What are the key properties of N-cyclopropyl-3-[3-(2-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
N-cyclopropyl-3-[3-(2-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide has a molecular weight of 396.49 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-(2-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide is sourced from PubChem (CID 66671352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).