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

C14H13N3O3S — CID 83273127

IUPAC2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCC1(C(=O)NCc2cccs2)Oc2cccnc2NC1=O
InChIInChI=1S/C14H13N3O3S/c1-14(12(18)16-8-9-4-3-7-21-9)13(19)17-11-10(20-14)5-2-6-15-11/h2-7H,8H2,1H3,(H,16,18)(H,15,17,19)
InChIKeyWRYOVWKNKVDWSS-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.55
Rot. Bonds3

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

2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide (PubChem CID 83273127) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
PubChem CID83273127
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
SMILESCC1(C(=O)NCc2cccs2)Oc2cccnc2NC1=O
InChIInChI=1S/C14H13N3O3S/c1-14(12(18)16-8-9-4-3-7-21-9)13(19)17-11-10(20-14)5-2-6-15-11/h2-7H,8H2,1H3,(H,16,18)(H,15,17,19)
InChIKeyWRYOVWKNKVDWSS-UHFFFAOYSA-N
XLogP1.55
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
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-N-(thiophen-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide (CID 83273127) is 2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide is CC1(C(=O)NCc2cccs2)Oc2cccnc2NC1=O.
What is the InChIKey of 2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
The InChIKey is WRYOVWKNKVDWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-14(12(18)16-8-9-4-3-7-21-9)13(19)17-11-10(20-14)5-2-6-15-11/h2-7H,8H2,1H3,(H,16,18)(H,15,17,19).
What are the key properties of 2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide?
2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 83273127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).