N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

C18H19N5O4 — CID 47057766

IUPACN-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc(OC)c1OC
InChIInChI=1S/C18H19N5O4/c1-25-13-8-11(9-14(26-2)16(13)27-3)10-15(24)20-18-21-17(22-23-18)12-6-4-5-7-19-12/h4-9H,10H2,1-3H3,(H2,20,21,22,23,24)
InChIKeyIHAWPLLUVWAMGX-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.07
Rot. Bonds7

About N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 47057766) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID47057766
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC NameN-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc(OC)c1OC
InChIInChI=1S/C18H19N5O4/c1-25-13-8-11(9-14(26-2)16(13)27-3)10-15(24)20-18-21-17(22-23-18)12-6-4-5-7-19-12/h4-9H,10H2,1-3H3,(H2,20,21,22,23,24)
InChIKeyIHAWPLLUVWAMGX-UHFFFAOYSA-N
XLogP2.07
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 47057766) is N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc(OC)c1OC.
What is the InChIKey of N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is IHAWPLLUVWAMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-25-13-8-11(9-14(26-2)16(13)27-3)10-15(24)20-18-21-17(22-23-18)12-6-4-5-7-19-12/h4-9H,10H2,1-3H3,(H2,20,21,22,23,24).
What are the key properties of N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 369.38 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 47057766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).