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

C18H19N3O3 — CID 4690797

IUPAC2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1ccc2c(c1)N(C(C)C(=O)NCc1ccccn1)C(=O)CO2
InChIInChI=1S/C18H19N3O3/c1-12-6-7-16-15(9-12)21(17(22)11-24-16)13(2)18(23)20-10-14-5-3-4-8-19-14/h3-9,13H,10-11H2,1-2H3,(H,20,23)
InChIKeyILGPUZAZJFUNIM-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.82
Rot. Bonds4

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

2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 4690797) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID4690797
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1ccc2c(c1)N(C(C)C(=O)NCc1ccccn1)C(=O)CO2
InChIInChI=1S/C18H19N3O3/c1-12-6-7-16-15(9-12)21(17(22)11-24-16)13(2)18(23)20-10-14-5-3-4-8-19-14/h3-9,13H,10-11H2,1-2H3,(H,20,23)
InChIKeyILGPUZAZJFUNIM-UHFFFAOYSA-N
XLogP1.82
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.82
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-2-ylmethyl)propanamide?
The IUPAC name of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide (CID 4690797) is 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide is Cc1ccc2c(c1)N(C(C)C(=O)NCc1ccccn1)C(=O)CO2.
What is the InChIKey of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is ILGPUZAZJFUNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-6-7-16-15(9-12)21(17(22)11-24-16)13(2)18(23)20-10-14-5-3-4-8-19-14/h3-9,13H,10-11H2,1-2H3,(H,20,23).
What are the key properties of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide?
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 325.37 g/mol, XLogP of 1.82, 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-2-ylmethyl)propanamide is sourced from PubChem (CID 4690797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).