2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide

C18H19N3O3 — CID 3224987

IUPAC2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide
SMILESCCC1Oc2ccccc2N(CC(=O)Nc2cccc(C)n2)C1=O
InChIInChI=1S/C18H19N3O3/c1-3-14-18(23)21(13-8-4-5-9-15(13)24-14)11-17(22)20-16-10-6-7-12(2)19-16/h4-10,14H,3,11H2,1-2H3,(H,19,20,22)
InChIKeyXKPXWWOAPYTJLG-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.53
Rot. Bonds4

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

2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide (PubChem CID 3224987) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide
PubChem CID3224987
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide
SMILESCCC1Oc2ccccc2N(CC(=O)Nc2cccc(C)n2)C1=O
InChIInChI=1S/C18H19N3O3/c1-3-14-18(23)21(13-8-4-5-9-15(13)24-14)11-17(22)20-16-10-6-7-12(2)19-16/h4-10,14H,3,11H2,1-2H3,(H,19,20,22)
InChIKeyXKPXWWOAPYTJLG-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 653285
N-cyclopropyl-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3155025
N-cyclopropyl-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 757970
2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 3674095
N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 5017270
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-heptylacetamide
CID 92853475
N-(2,5-dimethoxyphenyl)-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 51686732
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 757964
(2R)-2,4-diethyl-1,4-benzoxazin-3-one
CID 140970605
2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-1-ium-2-ylmethyl)acetamide
CID 3639363
N-(6-ethyl-2-methylpyrimidin-4-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 124607935
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7236802

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide (CID 3224987) is 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide is CCC1Oc2ccccc2N(CC(=O)Nc2cccc(C)n2)C1=O.
What is the InChIKey of 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide?
The InChIKey is XKPXWWOAPYTJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-14-18(23)21(13-8-4-5-9-15(13)24-14)11-17(22)20-16-10-6-7-12(2)19-16/h4-10,14H,3,11H2,1-2H3,(H,19,20,22).
What are the key properties of 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide?
2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide has a molecular weight of 325.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 3224987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).