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

C18H18FN3O3 — CID 53173802

IUPAC4-ethyl-N-[(4-fluorophenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)NCc2ccc(F)cc2)Oc2cccnc21
InChIInChI=1S/C18H18FN3O3/c1-3-22-15-14(5-4-10-20-15)25-18(2,17(22)24)16(23)21-11-12-6-8-13(19)9-7-12/h4-10H,3,11H2,1-2H3,(H,21,23)
InChIKeyJSWWBDUBERVULB-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.04
Rot. Bonds4

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

4-ethyl-N-[(4-fluorophenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide (PubChem CID 53173802) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 4-ethyl-N-[(4-fluorophenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(4-fluorophenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
PubChem CID53173802
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name4-ethyl-N-[(4-fluorophenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)NCc2ccc(F)cc2)Oc2cccnc21
InChIInChI=1S/C18H18FN3O3/c1-3-22-15-14(5-4-10-20-15)25-18(2,17(22)24)16(23)21-11-12-6-8-13(19)9-7-12/h4-10H,3,11H2,1-2H3,(H,21,23)
InChIKeyJSWWBDUBERVULB-UHFFFAOYSA-N
XLogP2.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

4-ethyl-N-[(3-methoxyphenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 53173817
(2S)-4-ethyl-N-[(2-methoxyphenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102517
(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
(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
(2R)-N-[(4-bromophenyl)methyl]-2-methyl-3-oxo-4-propan-2-ylpyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102654
(2R)-N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102376
(2S)-N-(2-ethoxyphenyl)-2,4-dimethyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95058483
N-butyl-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768303
N-[2-(4-chlorophenyl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768405
(2S)-N-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 1473069

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(4-fluorophenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The IUPAC name of 4-ethyl-N-[(4-fluorophenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide (CID 53173802) is 4-ethyl-N-[(4-fluorophenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(4-fluorophenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[(4-fluorophenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide is CCN1C(=O)C(C)(C(=O)NCc2ccc(F)cc2)Oc2cccnc21.
What is the InChIKey of 4-ethyl-N-[(4-fluorophenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
The InChIKey is JSWWBDUBERVULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-3-22-15-14(5-4-10-20-15)25-18(2,17(22)24)16(23)21-11-12-6-8-13(19)9-7-12/h4-10H,3,11H2,1-2H3,(H,21,23).
What are the key properties of 4-ethyl-N-[(4-fluorophenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide?
4-ethyl-N-[(4-fluorophenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(4-fluorophenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 53173802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).