2-(2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)acetamide

C17H14N2O4 — CID 4910385

IUPAC2-(2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)NCc1ccccn1
InChIInChI=1S/C17H14N2O4/c20-16(19-10-13-3-1-2-8-18-13)11-22-14-6-4-12-5-7-17(21)23-15(12)9-14/h1-9H,10-11H2,(H,19,20)
InChIKeyOWRIGHCUFISMEC-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.88
Rot. Bonds5

About 2-(2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)acetamide

2-(2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 4910385) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-(2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)acetamide
PubChem CID4910385
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name2-(2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)NCc1ccccn1
InChIInChI=1S/C17H14N2O4/c20-16(19-10-13-3-1-2-8-18-13)11-22-14-6-4-12-5-7-17(21)23-15(12)9-14/h1-9H,10-11H2,(H,19,20)
InChIKeyOWRIGHCUFISMEC-UHFFFAOYSA-N
XLogP1.88
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)acetamide (CID 4910385) is 2-(2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)acetamide is O=C(COc1ccc2ccc(=O)oc2c1)NCc1ccccn1.
What is the InChIKey of 2-(2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is OWRIGHCUFISMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c20-16(19-10-13-3-1-2-8-18-13)11-22-14-6-4-12-5-7-17(21)23-15(12)9-14/h1-9H,10-11H2,(H,19,20).
What are the key properties of 2-(2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)acetamide?
2-(2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 310.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxochromen-7-yl)oxy-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 4910385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).