2-[(4-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide

C17H17N5O3 — CID 75479432

IUPAC2-[(4-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCOc1ccc(COCC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1
InChIInChI=1S/C17H17N5O3/c1-24-13-7-5-12(6-8-13)10-25-11-15(23)19-17-20-16(21-22-17)14-4-2-3-9-18-14/h2-9H,10-11H2,1H3,(H2,19,20,21,22,23)
InChIKeyWRXTUAAQBXFKAL-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.03
Rot. Bonds7

About 2-[(4-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide

2-[(4-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 75479432) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID75479432
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name2-[(4-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCOc1ccc(COCC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1
InChIInChI=1S/C17H17N5O3/c1-24-13-7-5-12(6-8-13)10-25-11-15(23)19-17-20-16(21-22-17)14-4-2-3-9-18-14/h2-9H,10-11H2,1H3,(H2,19,20,21,22,23)
InChIKeyWRXTUAAQBXFKAL-UHFFFAOYSA-N
XLogP2.03
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone
CID 4313559
1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]butan-1-one
CID 4007214
1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one
CID 5129485
1-(phenoxyacetyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970599
N-(4-methoxybenzyl)-1-propionyl-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 2243127
2-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 86072887
1-[(2R)-2-[3-(2-amino-4-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68689783
1-[(2R)-2-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68690161
2-{3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazol-5-yl}pyridine
CID 2501099
2-[5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine
CID 2501103
US9687479, 319 1-(5-[(4-methoxyphenyl)methyl]amino-3-(pyridin-2-yl)-1H-1,2,4-triazol-1-yl)-2,2-dimethylpropan-1-one
CID 133081378
1-[(2R)-2-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 118738126

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (CID 75479432) is 2-[(4-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is COc1ccc(COCC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is WRXTUAAQBXFKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-24-13-7-5-12(6-8-13)10-25-11-15(23)19-17-20-16(21-22-17)14-4-2-3-9-18-14/h2-9H,10-11H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 2-[(4-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
2-[(4-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 339.36 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 75479432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).