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

C17H17N3O3 — CID 97416467

IUPAC(2S)-N-(4-ethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCCc1ccc(NC(=O)[C@]2(C)Oc3cccnc3NC2=O)cc1
InChIInChI=1S/C17H17N3O3/c1-3-11-6-8-12(9-7-11)19-15(21)17(2)16(22)20-14-13(23-17)5-4-10-18-14/h4-10H,3H2,1-2H3,(H,19,21)(H,18,20,22)/t17-/m0/s1
InChIKeyNLYIHLJFXGKPAI-KRWDZBQOSA-N
MW311.34 g/mol
LogP2.37
Rot. Bonds3

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

(2S)-N-(4-ethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide (PubChem CID 97416467) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is (2S)-N-(4-ethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-ethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
PubChem CID97416467
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name(2S)-N-(4-ethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCCc1ccc(NC(=O)[C@]2(C)Oc3cccnc3NC2=O)cc1
InChIInChI=1S/C17H17N3O3/c1-3-11-6-8-12(9-7-11)19-15(21)17(2)16(22)20-14-13(23-17)5-4-10-18-14/h4-10H,3H2,1-2H3,(H,19,21)(H,18,20,22)/t17-/m0/s1
InChIKeyNLYIHLJFXGKPAI-KRWDZBQOSA-N
XLogP2.37
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-N-(4-ethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide with MolForge

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Related Compounds

(2R)-N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102379
(2S)-N-(3,5-dimethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 97416439
(2R)-N-(2,4-dimethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102381
(2S)-N-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 1473069
N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 53173722
(2S)-N-(4-ethoxyphenyl)-2-methyl-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102620
N-ethyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 56686360
N-(2-butan-2-ylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75795956
2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzoxazine-2-carboxamide
CID 56730054
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75795897
N-(1-ethylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 56686389
1-(4-ethylphenyl)-3-pyridin-2-ylurea
CID 6469550

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-ethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The IUPAC name of (2S)-N-(4-ethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide (CID 97416467) is (2S)-N-(4-ethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-ethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-ethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide is CCc1ccc(NC(=O)[C@]2(C)Oc3cccnc3NC2=O)cc1.
What is the InChIKey of (2S)-N-(4-ethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The InChIKey is NLYIHLJFXGKPAI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-3-11-6-8-12(9-7-11)19-15(21)17(2)16(22)20-14-13(23-17)5-4-10-18-14/h4-10H,3H2,1-2H3,(H,19,21)(H,18,20,22)/t17-/m0/s1.
What are the key properties of (2S)-N-(4-ethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
(2S)-N-(4-ethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-ethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 97416467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).