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

C16H22N4O4 — CID 5094232

IUPAC2-methyl-N-(3-morpholin-4-ylpropyl)-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCC1(C(=O)NCCCN2CCOCC2)Oc2cccnc2NC1=O
InChIInChI=1S/C16H22N4O4/c1-16(15(22)19-13-12(24-16)4-2-5-17-13)14(21)18-6-3-7-20-8-10-23-11-9-20/h2,4-5H,3,6-11H2,1H3,(H,18,21)(H,17,19,22)
InChIKeyYLDQIQSPEOUFOO-UHFFFAOYSA-N
MW334.38 g/mol
LogP0.01
Rot. Bonds5

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

2-methyl-N-(3-morpholin-4-ylpropyl)-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide (PubChem CID 5094232) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-methyl-N-(3-morpholin-4-ylpropyl)-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-morpholin-4-ylpropyl)-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
PubChem CID5094232
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name2-methyl-N-(3-morpholin-4-ylpropyl)-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCC1(C(=O)NCCCN2CCOCC2)Oc2cccnc2NC1=O
InChIInChI=1S/C16H22N4O4/c1-16(15(22)19-13-12(24-16)4-2-5-17-13)14(21)18-6-3-7-20-8-10-23-11-9-20/h2,4-5H,3,6-11H2,1H3,(H,18,21)(H,17,19,22)
InChIKeyYLDQIQSPEOUFOO-UHFFFAOYSA-N
XLogP0.01
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide (CID 5094232) is 2-methyl-N-(3-morpholin-4-ylpropyl)-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-morpholin-4-ylpropyl)-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The canonical SMILES for 2-methyl-N-(3-morpholin-4-ylpropyl)-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide is CC1(C(=O)NCCCN2CCOCC2)Oc2cccnc2NC1=O.
What is the InChIKey of 2-methyl-N-(3-morpholin-4-ylpropyl)-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The InChIKey is YLDQIQSPEOUFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-16(15(22)19-13-12(24-16)4-2-5-17-13)14(21)18-6-3-7-20-8-10-23-11-9-20/h2,4-5H,3,6-11H2,1H3,(H,18,21)(H,17,19,22).
What are the key properties of 2-methyl-N-(3-morpholin-4-ylpropyl)-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
2-methyl-N-(3-morpholin-4-ylpropyl)-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-morpholin-4-ylpropyl)-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 5094232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).