(2S)-N-(3,5-dimethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide

C17H17N3O3 — CID 97416439

IUPAC(2S)-N-(3,5-dimethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)[C@]2(C)Oc3cccnc3NC2=O)c1
InChIInChI=1S/C17H17N3O3/c1-10-7-11(2)9-12(8-10)19-15(21)17(3)16(22)20-14-13(23-17)5-4-6-18-14/h4-9H,1-3H3,(H,19,21)(H,18,20,22)/t17-/m0/s1
InChIKeyJQJQWCSZADZHGV-KRWDZBQOSA-N
MW311.34 g/mol
LogP2.43
Rot. Bonds2

About (2S)-N-(3,5-dimethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide

(2S)-N-(3,5-dimethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide (PubChem CID 97416439) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is (2S)-N-(3,5-dimethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3,5-dimethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
PubChem CID97416439
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name(2S)-N-(3,5-dimethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)[C@]2(C)Oc3cccnc3NC2=O)c1
InChIInChI=1S/C17H17N3O3/c1-10-7-11(2)9-12(8-10)19-15(21)17(3)16(22)20-14-13(23-17)5-4-6-18-14/h4-9H,1-3H3,(H,19,21)(H,18,20,22)/t17-/m0/s1
InChIKeyJQJQWCSZADZHGV-KRWDZBQOSA-N
XLogP2.43
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-N-(3,5-dimethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(4-fluoro-3-methylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 83276932
(2R)-N-(2,4-dimethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102381
(2S)-N-(4-ethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 97416467
(2R)-N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102379
6-chloro-N-(3,5-dimethylphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75796578
(2R)-N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102376
(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
N-(4-chloro-3-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75795861
2,6-dimethyl-N-(5-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75769872
N-(3-carbamoylphenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 56686410
N-(2,6-dimethylphenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75796217

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dimethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The IUPAC name of (2S)-N-(3,5-dimethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide (CID 97416439) is (2S)-N-(3,5-dimethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3,5-dimethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The canonical SMILES for (2S)-N-(3,5-dimethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide is Cc1cc(C)cc(NC(=O)[C@]2(C)Oc3cccnc3NC2=O)c1.
What is the InChIKey of (2S)-N-(3,5-dimethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The InChIKey is JQJQWCSZADZHGV-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10-7-11(2)9-12(8-10)19-15(21)17(3)16(22)20-14-13(23-17)5-4-6-18-14/h4-9H,1-3H3,(H,19,21)(H,18,20,22)/t17-/m0/s1.
What are the key properties of (2S)-N-(3,5-dimethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
(2S)-N-(3,5-dimethylphenyl)-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 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,5-dimethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 97416439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).