(2S)-N-(2-ethoxyphenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide

C18H19N3O4 — CID 95058483

IUPAC(2S)-N-(2-ethoxyphenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)[C@]1(C)Oc2cccnc2N(C)C1=O
InChIInChI=1S/C18H19N3O4/c1-4-24-13-9-6-5-8-12(13)20-16(22)18(2)17(23)21(3)15-14(25-18)10-7-11-19-15/h5-11H,4H2,1-3H3,(H,20,22)/t18-/m0/s1
InChIKeySOMXRCYLSYIGEV-SFHVURJKSA-N
MW341.37 g/mol
LogP2.23
Rot. Bonds4

About (2S)-N-(2-ethoxyphenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide

(2S)-N-(2-ethoxyphenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide (PubChem CID 95058483) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is (2S)-N-(2-ethoxyphenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-ethoxyphenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
PubChem CID95058483
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name(2S)-N-(2-ethoxyphenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)[C@]1(C)Oc2cccnc2N(C)C1=O
InChIInChI=1S/C18H19N3O4/c1-4-24-13-9-6-5-8-12(13)20-16(22)18(2)17(23)21(3)15-14(25-18)10-7-11-19-15/h5-11H,4H2,1-3H3,(H,20,22)/t18-/m0/s1
InChIKeySOMXRCYLSYIGEV-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'}

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Related Compounds

(2S)-4-ethyl-N-(2-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102533
4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 53173815
(2S)-N-(4-ethoxyphenyl)-2-methyl-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102620
4-ethyl-N-(3-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 53173784
4-ethyl-N-[(4-fluorophenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 53173802
N-(2-ethoxyphenyl)-3-hydroxypyridine-2-carboxamide
CID 54860891
1-amino-N-(2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 65463762
(2R)-N-[(4-bromophenyl)methyl]-2-methyl-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102654
4-ethyl-N-[(3-methoxyphenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 53173817
N-(2-ethoxyphenyl)-1,2-thiazole-5-carboxamide
CID 110692203
2-[(2-amino-3-pyridinyl)oxy]-N-(2-ethoxyphenyl)acetamide
CID 82055927
N'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947531

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethoxyphenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The IUPAC name of (2S)-N-(2-ethoxyphenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide (CID 95058483) is (2S)-N-(2-ethoxyphenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-ethoxyphenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-ethoxyphenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide is CCOc1ccccc1NC(=O)[C@]1(C)Oc2cccnc2N(C)C1=O.
What is the InChIKey of (2S)-N-(2-ethoxyphenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The InChIKey is SOMXRCYLSYIGEV-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-4-24-13-9-6-5-8-12(13)20-16(22)18(2)17(23)21(3)15-14(25-18)10-7-11-19-15/h5-11H,4H2,1-3H3,(H,20,22)/t18-/m0/s1.
What are the key properties of (2S)-N-(2-ethoxyphenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
(2S)-N-(2-ethoxyphenyl)-2,4-dimethyl-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)-N-(2-ethoxyphenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 95058483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).