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

C17H17N5O3 — CID 51087379

IUPAC2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCOc1cccc(COCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1
InChIInChI=1S/C17H17N5O3/c1-24-13-6-4-5-12(9-13)10-25-11-15(23)19-17-20-16(21-22-17)14-7-2-3-8-18-14/h2-9H,10-11H2,1H3,(H2,19,20,21,22,23)
InChIKeyWMHFHFXPKLDSID-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.03
Rot. Bonds7

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

2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 51087379) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID51087379
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCOc1cccc(COCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1
InChIInChI=1S/C17H17N5O3/c1-24-13-6-4-5-12(9-13)10-25-11-15(23)19-17-20-16(21-22-17)14-7-2-3-8-18-14/h2-9H,10-11H2,1H3,(H2,19,20,21,22,23)
InChIKeyWMHFHFXPKLDSID-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (CID 51087379) is 2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is COc1cccc(COCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is WMHFHFXPKLDSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-24-13-6-4-5-12(9-13)10-25-11-15(23)19-17-20-16(21-22-17)14-7-2-3-8-18-14/h2-9H,10-11H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
2-[(3-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-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 51087379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).