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

C22H24N4O2 — CID 91889119

IUPACN-(4-ethylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide
SMILESCCc1ccc(NC(=O)COc2ccc(-c3nnc4n3CCCC4)cc2)cc1
InChIInChI=1S/C22H24N4O2/c1-2-16-6-10-18(11-7-16)23-21(27)15-28-19-12-8-17(9-13-19)22-25-24-20-5-3-4-14-26(20)22/h6-13H,2-5,14-15H2,1H3,(H,23,27)
InChIKeyZVCDSXORDJPZRV-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.86
Rot. Bonds6

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

N-(4-ethylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide (PubChem CID 91889119) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide
PubChem CID91889119
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(4-ethylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide
SMILESCCc1ccc(NC(=O)COc2ccc(-c3nnc4n3CCCC4)cc2)cc1
InChIInChI=1S/C22H24N4O2/c1-2-16-6-10-18(11-7-16)23-21(27)15-28-19-12-8-17(9-13-19)22-25-24-20-5-3-4-14-26(20)22/h6-13H,2-5,14-15H2,1H3,(H,23,27)
InChIKeyZVCDSXORDJPZRV-UHFFFAOYSA-N
XLogP3.86
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide (CID 91889119) is N-(4-ethylphenyl)-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-(4-ethylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide is CCc1ccc(NC(=O)COc2ccc(-c3nnc4n3CCCC4)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide?
The InChIKey is ZVCDSXORDJPZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-2-16-6-10-18(11-7-16)23-21(27)15-28-19-12-8-17(9-13-19)22-25-24-20-5-3-4-14-26(20)22/h6-13H,2-5,14-15H2,1H3,(H,23,27).
What are the key properties of N-(4-ethylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide?
N-(4-ethylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide has a molecular weight of 376.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide is sourced from PubChem (CID 91889119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).