2-methyl-3-oxo-4-propan-2-yl-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide

C17H19N3O3S — CID 53173847

IUPAC2-methyl-3-oxo-4-propan-2-yl-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCC(C)N1C(=O)C(C)(C(=O)NCc2cccs2)Oc2cccnc21
InChIInChI=1S/C17H19N3O3S/c1-11(2)20-14-13(7-4-8-18-14)23-17(3,16(20)22)15(21)19-10-12-6-5-9-24-12/h4-9,11H,10H2,1-3H3,(H,19,21)
InChIKeyAOHBTKFOCAUIKU-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.35
Rot. Bonds4

About 2-methyl-3-oxo-4-propan-2-yl-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide

2-methyl-3-oxo-4-propan-2-yl-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide (PubChem CID 53173847) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-methyl-3-oxo-4-propan-2-yl-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-4-propan-2-yl-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide
PubChem CID53173847
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name2-methyl-3-oxo-4-propan-2-yl-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCC(C)N1C(=O)C(C)(C(=O)NCc2cccs2)Oc2cccnc21
InChIInChI=1S/C17H19N3O3S/c1-11(2)20-14-13(7-4-8-18-14)23-17(3,16(20)22)15(21)19-10-12-6-5-9-24-12/h4-9,11H,10H2,1-3H3,(H,19,21)
InChIKeyAOHBTKFOCAUIKU-UHFFFAOYSA-N
XLogP2.35
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-4-propan-2-yl-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The IUPAC name of 2-methyl-3-oxo-4-propan-2-yl-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide (CID 53173847) is 2-methyl-3-oxo-4-propan-2-yl-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-4-propan-2-yl-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-4-propan-2-yl-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide is CC(C)N1C(=O)C(C)(C(=O)NCc2cccs2)Oc2cccnc21.
What is the InChIKey of 2-methyl-3-oxo-4-propan-2-yl-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The InChIKey is AOHBTKFOCAUIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11(2)20-14-13(7-4-8-18-14)23-17(3,16(20)22)15(21)19-10-12-6-5-9-24-12/h4-9,11H,10H2,1-3H3,(H,19,21).
What are the key properties of 2-methyl-3-oxo-4-propan-2-yl-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide?
2-methyl-3-oxo-4-propan-2-yl-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-4-propan-2-yl-N-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 53173847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).