2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide

C16H17N3O3 — CID 2524533

IUPAC2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CNC(=O)COc1ccccc1)NCc1cccnc1
InChIInChI=1S/C16H17N3O3/c20-15(18-10-13-5-4-8-17-9-13)11-19-16(21)12-22-14-6-2-1-3-7-14/h1-9H,10-12H2,(H,18,20)(H,19,21)
InChIKeyPZVNEIAHJOPXDJ-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.89
Rot. Bonds7

About 2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide

2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 2524533) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID2524533
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CNC(=O)COc1ccccc1)NCc1cccnc1
InChIInChI=1S/C16H17N3O3/c20-15(18-10-13-5-4-8-17-9-13)11-19-16(21)12-22-14-6-2-1-3-7-14/h1-9H,10-12H2,(H,18,20)(H,19,21)
InChIKeyPZVNEIAHJOPXDJ-UHFFFAOYSA-N
XLogP0.89
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide (CID 2524533) is 2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide is O=C(CNC(=O)COc1ccccc1)NCc1cccnc1.
What is the InChIKey of 2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is PZVNEIAHJOPXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-15(18-10-13-5-4-8-17-9-13)11-19-16(21)12-22-14-6-2-1-3-7-14/h1-9H,10-12H2,(H,18,20)(H,19,21).
What are the key properties of 2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide?
2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 299.33 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 2524533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).