N-(2-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide

C21H22N4O2 — CID 91889126

IUPACN-(2-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide
SMILESCc1ccccc1NC(=O)COc1ccc(-c2nnc3n2CCCC3)cc1
InChIInChI=1S/C21H22N4O2/c1-15-6-2-3-7-18(15)22-20(26)14-27-17-11-9-16(10-12-17)21-24-23-19-8-4-5-13-25(19)21/h2-3,6-7,9-12H,4-5,8,13-14H2,1H3,(H,22,26)
InChIKeyRBLOHYUTMWCUAW-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.61
Rot. Bonds5

About N-(2-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide

N-(2-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide (PubChem CID 91889126) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide
PubChem CID91889126
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(2-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide
SMILESCc1ccccc1NC(=O)COc1ccc(-c2nnc3n2CCCC3)cc1
InChIInChI=1S/C21H22N4O2/c1-15-6-2-3-7-18(15)22-20(26)14-27-17-11-9-16(10-12-17)21-24-23-19-8-4-5-13-25(19)21/h2-3,6-7,9-12H,4-5,8,13-14H2,1H3,(H,22,26)
InChIKeyRBLOHYUTMWCUAW-UHFFFAOYSA-N
XLogP3.61
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide (CID 91889126) is N-(2-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide is Cc1ccccc1NC(=O)COc1ccc(-c2nnc3n2CCCC3)cc1.
What is the InChIKey of N-(2-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide?
The InChIKey is RBLOHYUTMWCUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-6-2-3-7-18(15)22-20(26)14-27-17-11-9-16(10-12-17)21-24-23-19-8-4-5-13-25(19)21/h2-3,6-7,9-12H,4-5,8,13-14H2,1H3,(H,22,26).
What are the key properties of N-(2-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide?
N-(2-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide has a molecular weight of 362.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide is sourced from PubChem (CID 91889126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).