(2S)-4-ethyl-N-(2-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide

C18H19N3O4 — CID 95102533

IUPAC(2S)-4-ethyl-N-(2-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCCN1C(=O)[C@](C)(C(=O)Nc2ccccc2OC)Oc2cccnc21
InChIInChI=1S/C18H19N3O4/c1-4-21-15-14(10-7-11-19-15)25-18(2,17(21)23)16(22)20-12-8-5-6-9-13(12)24-3/h5-11H,4H2,1-3H3,(H,20,22)/t18-/m0/s1
InChIKeyOVKDTNPVBCJIHT-SFHVURJKSA-N
MW341.37 g/mol
LogP2.23
Rot. Bonds4

About (2S)-4-ethyl-N-(2-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide

(2S)-4-ethyl-N-(2-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide (PubChem CID 95102533) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is (2S)-4-ethyl-N-(2-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-ethyl-N-(2-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
PubChem CID95102533
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name(2S)-4-ethyl-N-(2-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCCN1C(=O)[C@](C)(C(=O)Nc2ccccc2OC)Oc2cccnc21
InChIInChI=1S/C18H19N3O4/c1-4-21-15-14(10-7-11-19-15)25-18(2,17(21)23)16(22)20-12-8-5-6-9-13(12)24-3/h5-11H,4H2,1-3H3,(H,20,22)/t18-/m0/s1
InChIKeyOVKDTNPVBCJIHT-SFHVURJKSA-N
XLogP2.23
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-4-ethyl-N-(2-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide with MolForge

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Related Compounds

4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 53173815
(2S)-4-ethyl-N-[(2-methoxyphenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102517
(2R)-4-ethyl-N-(4-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102532
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
4-ethyl-N-[(4-fluorophenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 53173802
(2S)-N-(4-ethoxyphenyl)-2-methyl-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102620
(2S)-N-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 1473069
methyl 4-[(4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carbonyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 75769453
N-(3,5-dimethyl-1,2-thiazol-4-yl)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768433
1-N'-(2-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976705
4-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75769822

Frequently Asked Questions

What is the IUPAC name of (2S)-4-ethyl-N-(2-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The IUPAC name of (2S)-4-ethyl-N-(2-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide (CID 95102533) is (2S)-4-ethyl-N-(2-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide.
What is the SMILES notation for (2S)-4-ethyl-N-(2-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The canonical SMILES for (2S)-4-ethyl-N-(2-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide is CCN1C(=O)[C@](C)(C(=O)Nc2ccccc2OC)Oc2cccnc21.
What is the InChIKey of (2S)-4-ethyl-N-(2-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The InChIKey is OVKDTNPVBCJIHT-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-4-21-15-14(10-7-11-19-15)25-18(2,17(21)23)16(22)20-12-8-5-6-9-13(12)24-3/h5-11H,4H2,1-3H3,(H,20,22)/t18-/m0/s1.
What are the key properties of (2S)-4-ethyl-N-(2-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
(2S)-4-ethyl-N-(2-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-ethyl-N-(2-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 95102533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).