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

C22H24N4O3 — CID 91889138

IUPACN-(2-methoxy-5-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide
SMILESCOc1ccc(C)cc1NC(=O)COc1ccc(-c2nnc3n2CCCC3)cc1
InChIInChI=1S/C22H24N4O3/c1-15-6-11-19(28-2)18(13-15)23-21(27)14-29-17-9-7-16(8-10-17)22-25-24-20-5-3-4-12-26(20)22/h6-11,13H,3-5,12,14H2,1-2H3,(H,23,27)
InChIKeyNENZDHBTBHPAJD-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.62
Rot. Bonds6

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

N-(2-methoxy-5-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide (PubChem CID 91889138) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2-methoxy-5-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-methoxy-5-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide
PubChem CID91889138
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide
SMILESCOc1ccc(C)cc1NC(=O)COc1ccc(-c2nnc3n2CCCC3)cc1
InChIInChI=1S/C22H24N4O3/c1-15-6-11-19(28-2)18(13-15)23-21(27)14-29-17-9-7-16(8-10-17)22-25-24-20-5-3-4-12-26(20)22/h6-11,13H,3-5,12,14H2,1-2H3,(H,23,27)
InChIKeyNENZDHBTBHPAJD-UHFFFAOYSA-N
XLogP3.62
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-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-methoxy-5-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide (CID 91889138) is N-(2-methoxy-5-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-methoxy-5-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-methoxy-5-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide is COc1ccc(C)cc1NC(=O)COc1ccc(-c2nnc3n2CCCC3)cc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide?
The InChIKey is NENZDHBTBHPAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-6-11-19(28-2)18(13-15)23-21(27)14-29-17-9-7-16(8-10-17)22-25-24-20-5-3-4-12-26(20)22/h6-11,13H,3-5,12,14H2,1-2H3,(H,23,27).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide?
N-(2-methoxy-5-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 392.46 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-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 91889138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).