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

C18H19N3O3 — CID 3245697

IUPAC3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1ccc2c(c1)N(CCC(=O)NCc1ccccn1)C(=O)CO2
InChIInChI=1S/C18H19N3O3/c1-13-5-6-16-15(10-13)21(18(23)12-24-16)9-7-17(22)20-11-14-4-2-3-8-19-14/h2-6,8,10H,7,9,11-12H2,1H3,(H,20,22)
InChIKeyCUVDHHGXPUUDMP-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.82
Rot. Bonds5

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

3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 3245697) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID3245697
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1ccc2c(c1)N(CCC(=O)NCc1ccccn1)C(=O)CO2
InChIInChI=1S/C18H19N3O3/c1-13-5-6-16-15(10-13)21(18(23)12-24-16)9-7-17(22)20-11-14-4-2-3-8-19-14/h2-6,8,10H,7,9,11-12H2,1H3,(H,20,22)
InChIKeyCUVDHHGXPUUDMP-UHFFFAOYSA-N
XLogP1.82
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide (CID 3245697) is 3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide is Cc1ccc2c(c1)N(CCC(=O)NCc1ccccn1)C(=O)CO2.
What is the InChIKey of 3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is CUVDHHGXPUUDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-5-6-16-15(10-13)21(18(23)12-24-16)9-7-17(22)20-11-14-4-2-3-8-19-14/h2-6,8,10H,7,9,11-12H2,1H3,(H,20,22).
What are the key properties of 3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide?
3-(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, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 3245697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).