(2R)-N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide

C17H17N3O4 — CID 95102379

IUPAC(2R)-N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@]2(C)Oc3cccnc3NC2=O)cc1
InChIInChI=1S/C17H17N3O4/c1-3-23-12-8-6-11(7-9-12)19-15(21)17(2)16(22)20-14-13(24-17)5-4-10-18-14/h4-10H,3H2,1-2H3,(H,19,21)(H,18,20,22)/t17-/m1/s1
InChIKeyMPTFSFILIKCGLZ-QGZVFWFLSA-N
MW327.34 g/mol
LogP2.21
Rot. Bonds4

About (2R)-N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide

(2R)-N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide (PubChem CID 95102379) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is (2R)-N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
PubChem CID95102379
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name(2R)-N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@]2(C)Oc3cccnc3NC2=O)cc1
InChIInChI=1S/C17H17N3O4/c1-3-23-12-8-6-11(7-9-12)19-15(21)17(2)16(22)20-14-13(24-17)5-4-10-18-14/h4-10H,3H2,1-2H3,(H,19,21)(H,18,20,22)/t17-/m1/s1
InChIKeyMPTFSFILIKCGLZ-QGZVFWFLSA-N
XLogP2.21
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2R)-N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide 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

(2S)-N-(4-ethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 97416467
(2S)-N-(4-ethoxyphenyl)-2-methyl-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102620
N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 53173722
(2S)-N-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 1473069
2-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 110277610
N-(4-ethoxyphenyl)-5-methyl-2-oxo-1,3-dioxane-5-carboxamide
CID 100778858
4-ethyl-N-(3-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 53173784
(2S)-N-(2-ethoxyphenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95058483
N-(4-ethoxyphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140867
N-(4-ethoxyphenyl)-2-pyridin-2-ylacetamide
CID 110696990
4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 22331411
N-(4-ethoxyphenyl)furo[3,2-b]pyridine-2-carboxamide
CID 16906829

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The IUPAC name of (2R)-N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide (CID 95102379) is (2R)-N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide is CCOc1ccc(NC(=O)[C@@]2(C)Oc3cccnc3NC2=O)cc1.
What is the InChIKey of (2R)-N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The InChIKey is MPTFSFILIKCGLZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-3-23-12-8-6-11(7-9-12)19-15(21)17(2)16(22)20-14-13(24-17)5-4-10-18-14/h4-10H,3H2,1-2H3,(H,19,21)(H,18,20,22)/t17-/m1/s1.
What are the key properties of (2R)-N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
(2R)-N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 95102379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).