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

C17H17N3O4 — CID 95102376

IUPAC(2R)-N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)[C@@]2(C)Oc3cccnc3NC2=O)cc1
InChIInChI=1S/C17H17N3O4/c1-17(16(22)20-14-13(24-17)4-3-9-18-14)15(21)19-10-11-5-7-12(23-2)8-6-11/h3-9H,10H2,1-2H3,(H,19,21)(H,18,20,22)/t17-/m1/s1
InChIKeyKUDAZBHUJMPYCP-QGZVFWFLSA-N
MW327.34 g/mol
LogP1.50
Rot. Bonds4

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

(2R)-N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide (PubChem CID 95102376) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is (2R)-N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
PubChem CID95102376
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name(2R)-N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)[C@@]2(C)Oc3cccnc3NC2=O)cc1
InChIInChI=1S/C17H17N3O4/c1-17(16(22)20-14-13(24-17)4-3-9-18-14)15(21)19-10-11-5-7-12(23-2)8-6-11/h3-9H,10H2,1-2H3,(H,19,21)(H,18,20,22)/t17-/m1/s1
InChIKeyKUDAZBHUJMPYCP-QGZVFWFLSA-N
XLogP1.50
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 ≤ 51.50
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-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide with MolForge

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Related Compounds

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
(2S)-N-(4-ethylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 97416467
4-ethyl-N-[(3-methoxyphenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 53173817
4-ethyl-N-[(4-fluorophenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 53173802
1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 53184866
(2R)-4-ethyl-N-(4-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102532
N-(4-fluoro-3-methylphenyl)-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 83276932
1-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 47235934
(2R)-N-[(4-bromophenyl)methyl]-2-methyl-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102654
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817
2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzoxazine-2-carboxamide
CID 56730054

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The IUPAC name of (2R)-N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide (CID 95102376) is (2R)-N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The canonical SMILES for (2R)-N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide is COc1ccc(CNC(=O)[C@@]2(C)Oc3cccnc3NC2=O)cc1.
What is the InChIKey of (2R)-N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The InChIKey is KUDAZBHUJMPYCP-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-17(16(22)20-14-13(24-17)4-3-9-18-14)15(21)19-10-11-5-7-12(23-2)8-6-11/h3-9H,10H2,1-2H3,(H,19,21)(H,18,20,22)/t17-/m1/s1.
What are the key properties of (2R)-N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
(2R)-N-[(4-methoxyphenyl)methyl]-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 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 95102376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).