3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyridin-2-ylethyl)propanamide

C19H21N3O3 — CID 42786104

IUPAC3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESCc1ccc2c(c1)OCC(=O)N2CCC(=O)NCCc1ccccn1
InChIInChI=1S/C19H21N3O3/c1-14-5-6-16-17(12-14)25-13-19(24)22(16)11-8-18(23)21-10-7-15-4-2-3-9-20-15/h2-6,9,12H,7-8,10-11,13H2,1H3,(H,21,23)
InChIKeyXWTDHJRRBZQZHD-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.86
Rot. Bonds6

About 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyridin-2-ylethyl)propanamide

3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 42786104) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID42786104
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESCc1ccc2c(c1)OCC(=O)N2CCC(=O)NCCc1ccccn1
InChIInChI=1S/C19H21N3O3/c1-14-5-6-16-17(12-14)25-13-19(24)22(16)11-8-18(23)21-10-7-15-4-2-3-9-20-15/h2-6,9,12H,7-8,10-11,13H2,1H3,(H,21,23)
InChIKeyXWTDHJRRBZQZHD-UHFFFAOYSA-N
XLogP1.86
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide
CID 42786112
3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide
CID 3282711
2-[6-[2-(2,4-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 42847117
N-(2-aminoethyl)-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 39163215
N-[2-(dimethylamino)ethyl]-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46246200
3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide
CID 7415487
N-[2-(dimethylamino)ethyl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 143767409
N-(2,4-dimethylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191692
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 17403868
N-(2-ethoxy-4-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 87027116
4-[6-[2-(4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(pyridin-2-ylmethyl)butanamide
CID 42846857
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 40716730

Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyridin-2-ylethyl)propanamide (CID 42786104) is 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyridin-2-ylethyl)propanamide is Cc1ccc2c(c1)OCC(=O)N2CCC(=O)NCCc1ccccn1.
What is the InChIKey of 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is XWTDHJRRBZQZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-14-5-6-16-17(12-14)25-13-19(24)22(16)11-8-18(23)21-10-7-15-4-2-3-9-20-15/h2-6,9,12H,7-8,10-11,13H2,1H3,(H,21,23).
What are the key properties of 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyridin-2-ylethyl)propanamide?
3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 339.40 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 42786104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).