3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide

C19H21N3O3 — CID 78837203

IUPAC3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
SMILESCc1cc(C)c(NC(=O)CCN2C(=O)COc3ccccc32)c(C)n1
InChIInChI=1S/C19H21N3O3/c1-12-10-13(2)20-14(3)19(12)21-17(23)8-9-22-15-6-4-5-7-16(15)25-11-18(22)24/h4-7,10H,8-9,11H2,1-3H3,(H,21,23)
InChIKeyNGGBNUKYQSUXET-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.76
Rot. Bonds4

About 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide

3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide (PubChem CID 78837203) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
PubChem CID78837203
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
SMILESCc1cc(C)c(NC(=O)CCN2C(=O)COc3ccccc32)c(C)n1
InChIInChI=1S/C19H21N3O3/c1-12-10-13(2)20-14(3)19(12)21-17(23)8-9-22-15-6-4-5-7-16(15)25-11-18(22)24/h4-7,10H,8-9,11H2,1-3H3,(H,21,23)
InChIKeyNGGBNUKYQSUXET-UHFFFAOYSA-N
XLogP2.76
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191658
N-(2,4-dimethylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191692
N-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46463428
N-(3-iodo-4-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 26285532
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 17446472
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 51334622
N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 25341536
N-(3-methylbutan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46651113
ethyl 3-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzoate
CID 9228361
N-(2-ethoxy-4-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 87027116
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylphenyl)propanamide
CID 17488541
N-(4-ethoxyphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191726

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide?
The IUPAC name of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide (CID 78837203) is 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide?
The canonical SMILES for 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide is Cc1cc(C)c(NC(=O)CCN2C(=O)COc3ccccc32)c(C)n1.
What is the InChIKey of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide?
The InChIKey is NGGBNUKYQSUXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-10-13(2)20-14(3)19(12)21-17(23)8-9-22-15-6-4-5-7-16(15)25-11-18(22)24/h4-7,10H,8-9,11H2,1-3H3,(H,21,23).
What are the key properties of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide?
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide has a molecular weight of 339.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide is sourced from PubChem (CID 78837203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).