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

C18H19N3O4 — CID 53173784

IUPAC4-ethyl-N-(3-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)Nc2cccc(OC)c2)Oc2cccnc21
InChIInChI=1S/C18H19N3O4/c1-4-21-15-14(9-6-10-19-15)25-18(2,17(21)23)16(22)20-12-7-5-8-13(11-12)24-3/h5-11H,4H2,1-3H3,(H,20,22)
InChIKeyNAJMLXJMZZBZTA-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.23
Rot. Bonds4

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

4-ethyl-N-(3-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide (PubChem CID 53173784) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-ethyl-N-(3-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(3-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
PubChem CID53173784
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name4-ethyl-N-(3-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)Nc2cccc(OC)c2)Oc2cccnc21
InChIInChI=1S/C18H19N3O4/c1-4-21-15-14(9-6-10-19-15)25-18(2,17(21)23)16(22)20-12-7-5-8-13(11-12)24-3/h5-11H,4H2,1-3H3,(H,20,22)
InChIKeyNAJMLXJMZZBZTA-UHFFFAOYSA-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

N-(3-cyanophenyl)-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 53173807
(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
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-ethoxyphenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95058483
(2S)-4-butyl-N-cyclopentyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102731
(2S)-2,4-dimethyl-N-(2-methylphenyl)-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102450
(2R)-N-(2-fluorophenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102464
1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 53173722
N-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157277

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The IUPAC name of 4-ethyl-N-(3-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide (CID 53173784) is 4-ethyl-N-(3-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(3-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(3-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide is CCN1C(=O)C(C)(C(=O)Nc2cccc(OC)c2)Oc2cccnc21.
What is the InChIKey of 4-ethyl-N-(3-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The InChIKey is NAJMLXJMZZBZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-4-21-15-14(9-6-10-19-15)25-18(2,17(21)23)16(22)20-12-7-5-8-13(11-12)24-3/h5-11H,4H2,1-3H3,(H,20,22).
What are the key properties of 4-ethyl-N-(3-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
4-ethyl-N-(3-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 4-ethyl-N-(3-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 53173784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).