2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-pyridin-4-ylacetamide

C20H17N5O2 — CID 16762302

IUPAC2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-pyridin-4-ylacetamide
SMILESCc1ccc(OCC(=O)Nc2ccncc2)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C20H17N5O2/c1-14-6-7-19(27-13-20(26)22-15-8-10-21-11-9-15)18(12-14)25-23-16-4-2-3-5-17(16)24-25/h2-12H,13H2,1H3,(H,21,22,26)
InChIKeyLLHLCGCRRIHATI-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.14
Rot. Bonds5

About 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-pyridin-4-ylacetamide

2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-pyridin-4-ylacetamide (PubChem CID 16762302) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-pyridin-4-ylacetamide
PubChem CID16762302
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-pyridin-4-ylacetamide
SMILESCc1ccc(OCC(=O)Nc2ccncc2)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C20H17N5O2/c1-14-6-7-19(27-13-20(26)22-15-8-10-21-11-9-15)18(12-14)25-23-16-4-2-3-5-17(16)24-25/h2-12H,13H2,1H3,(H,21,22,26)
InChIKeyLLHLCGCRRIHATI-UHFFFAOYSA-N
XLogP3.14
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-pyridin-4-ylacetamide (CID 16762302) is 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-pyridin-4-ylacetamide is Cc1ccc(OCC(=O)Nc2ccncc2)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-pyridin-4-ylacetamide?
The InChIKey is LLHLCGCRRIHATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-14-6-7-19(27-13-20(26)22-15-8-10-21-11-9-15)18(12-14)25-23-16-4-2-3-5-17(16)24-25/h2-12H,13H2,1H3,(H,21,22,26).
What are the key properties of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-pyridin-4-ylacetamide?
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-pyridin-4-ylacetamide has a molecular weight of 359.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 16762302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).