2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide

C17H17N3O3 — CID 866249

IUPAC2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccc2c(c1)N(CC(=O)NCc1cccnc1)C(=O)CO2
InChIInChI=1S/C17H17N3O3/c1-12-4-5-15-14(7-12)20(17(22)11-23-15)10-16(21)19-9-13-3-2-6-18-8-13/h2-8H,9-11H2,1H3,(H,19,21)
InChIKeyAMPDRAYGYXUBPZ-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.43
Rot. Bonds4

About 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide

2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 866249) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID866249
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccc2c(c1)N(CC(=O)NCc1cccnc1)C(=O)CO2
InChIInChI=1S/C17H17N3O3/c1-12-4-5-15-14(7-12)20(17(22)11-23-15)10-16(21)19-9-13-3-2-6-18-8-13/h2-8H,9-11H2,1H3,(H,19,21)
InChIKeyAMPDRAYGYXUBPZ-UHFFFAOYSA-N
XLogP1.43
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 866249) is 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide is Cc1ccc2c(c1)N(CC(=O)NCc1cccnc1)C(=O)CO2.
What is the InChIKey of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is AMPDRAYGYXUBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-12-4-5-15-14(7-12)20(17(22)11-23-15)10-16(21)19-9-13-3-2-6-18-8-13/h2-8H,9-11H2,1H3,(H,19,21).
What are the key properties of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 311.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 866249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).