2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]acetamide

C18H19N5O3 — CID 125434106

IUPAC2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCc1cc(=O)c(OCC(=O)Nc2n[nH]c(CCc3ccccc3)n2)c[nH]1
InChIInChI=1S/C18H19N5O3/c1-12-9-14(24)15(10-19-12)26-11-17(25)21-18-20-16(22-23-18)8-7-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,19,24)(H2,20,21,22,23,25)
InChIKeyLDBKAGVVXKCXJK-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.60
Rot. Bonds7

About 2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]acetamide

2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 125434106) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID125434106
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCc1cc(=O)c(OCC(=O)Nc2n[nH]c(CCc3ccccc3)n2)c[nH]1
InChIInChI=1S/C18H19N5O3/c1-12-9-14(24)15(10-19-12)26-11-17(25)21-18-20-16(22-23-18)8-7-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,19,24)(H2,20,21,22,23,25)
InChIKeyLDBKAGVVXKCXJK-UHFFFAOYSA-N
XLogP1.60
TPSA112.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 125434106) is 2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]acetamide is Cc1cc(=O)c(OCC(=O)Nc2n[nH]c(CCc3ccccc3)n2)c[nH]1.
What is the InChIKey of 2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is LDBKAGVVXKCXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-12-9-14(24)15(10-19-12)26-11-17(25)21-18-20-16(22-23-18)8-7-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,19,24)(H2,20,21,22,23,25).
What are the key properties of 2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]acetamide?
2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 353.38 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 125434106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).