3-methyl-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide

C18H17N3O3 — CID 134107169

IUPAC3-methyl-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide
SMILESC=CCN1C(=O)COc2ccc(NC(=O)c3cccc(C)c3)nc21
InChIInChI=1S/C18H17N3O3/c1-3-9-21-16(22)11-24-14-7-8-15(19-17(14)21)20-18(23)13-6-4-5-12(2)10-13/h3-8,10H,1,9,11H2,2H3,(H,19,20,23)
InChIKeyRRMUEZMSILLAAJ-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.55
Rot. Bonds4

About 3-methyl-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide

3-methyl-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide (PubChem CID 134107169) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-methyl-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide
PubChem CID134107169
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-methyl-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide
SMILESC=CCN1C(=O)COc2ccc(NC(=O)c3cccc(C)c3)nc21
InChIInChI=1S/C18H17N3O3/c1-3-9-21-16(22)11-24-14-7-8-15(19-17(14)21)20-18(23)13-6-4-5-12(2)10-13/h3-8,10H,1,9,11H2,2H3,(H,19,20,23)
InChIKeyRRMUEZMSILLAAJ-UHFFFAOYSA-N
XLogP2.55
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-methyl-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide 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

3-chloro-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide
CID 134104412
3-methoxy-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide
CID 134113602
3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzamide
CID 110713280
3-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
N-(5-methyl-2-pyridinyl)-3-oxo-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-benzoxazine-6-carboxamide
CID 53085013
3-methyl-N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51508104
3-methyl-N-[(4S)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51508105
3-methyl-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980083
3-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-propan-2-ylbenzamide
CID 4221788
3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 17217691
N-[6-(3-methylanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113045734
2-fluoro-N-[4-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 21009055

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide?
The IUPAC name of 3-methyl-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide (CID 134107169) is 3-methyl-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide?
The canonical SMILES for 3-methyl-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide is C=CCN1C(=O)COc2ccc(NC(=O)c3cccc(C)c3)nc21.
What is the InChIKey of 3-methyl-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide?
The InChIKey is RRMUEZMSILLAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-3-9-21-16(22)11-24-14-7-8-15(19-17(14)21)20-18(23)13-6-4-5-12(2)10-13/h3-8,10H,1,9,11H2,2H3,(H,19,20,23).
What are the key properties of 3-methyl-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide?
3-methyl-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide has a molecular weight of 323.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide is sourced from PubChem (CID 134107169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).