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

C22H24N4O2 — CID 25061135

IUPACN-cyclopropyl-4-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(C3CCOCC3)nnc2c1
InChIInChI=1S/C22H24N4O2/c1-14-2-3-17(22(27)23-18-4-5-18)12-19(14)16-6-9-26-20(13-16)24-25-21(26)15-7-10-28-11-8-15/h2-3,6,9,12-13,15,18H,4-5,7-8,10-11H2,1H3,(H,23,27)
InChIKeyTUJFFDGKERHYEX-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.49
Rot. Bonds4

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

N-cyclopropyl-4-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide (PubChem CID 25061135) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide
PubChem CID25061135
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-cyclopropyl-4-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(C3CCOCC3)nnc2c1
InChIInChI=1S/C22H24N4O2/c1-14-2-3-17(22(27)23-18-4-5-18)12-19(14)16-6-9-26-20(13-16)24-25-21(26)15-7-10-28-11-8-15/h2-3,6,9,12-13,15,18H,4-5,7-8,10-11H2,1H3,(H,23,27)
InChIKeyTUJFFDGKERHYEX-UHFFFAOYSA-N
XLogP3.49
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide (CID 25061135) is N-cyclopropyl-4-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(C3CCOCC3)nnc2c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide?
The InChIKey is TUJFFDGKERHYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-2-3-17(22(27)23-18-4-5-18)12-19(14)16-6-9-26-20(13-16)24-25-21(26)15-7-10-28-11-8-15/h2-3,6,9,12-13,15,18H,4-5,7-8,10-11H2,1H3,(H,23,27).
What are the key properties of N-cyclopropyl-4-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide?
N-cyclopropyl-4-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide is sourced from PubChem (CID 25061135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).