6-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C15H18N6O2S — CID 133364406

IUPAC6-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCN1CCOC2CN(c3ccc(C(=O)Nc4nncs4)cn3)CC21
InChIInChI=1S/C15H18N6O2S/c1-20-4-5-23-12-8-21(7-11(12)20)13-3-2-10(6-16-13)14(22)18-15-19-17-9-24-15/h2-3,6,9,11-12H,4-5,7-8H2,1H3,(H,18,19,22)
InChIKeyLTHYGCQHQCWFCH-UHFFFAOYSA-N
MW346.42 g/mol
LogP0.70
Rot. Bonds3

About 6-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133364406) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is 6-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133364406
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name6-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCN1CCOC2CN(c3ccc(C(=O)Nc4nncs4)cn3)CC21
InChIInChI=1S/C15H18N6O2S/c1-20-4-5-23-12-8-21(7-11(12)20)13-3-2-10(6-16-13)14(22)18-15-19-17-9-24-15/h2-3,6,9,11-12H,4-5,7-8H2,1H3,(H,18,19,22)
InChIKeyLTHYGCQHQCWFCH-UHFFFAOYSA-N
XLogP0.70
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133364406) is 6-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CN1CCOC2CN(c3ccc(C(=O)Nc4nncs4)cn3)CC21.
What is the InChIKey of 6-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is LTHYGCQHQCWFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c1-20-4-5-23-12-8-21(7-11(12)20)13-3-2-10(6-16-13)14(22)18-15-19-17-9-24-15/h2-3,6,9,11-12H,4-5,7-8H2,1H3,(H,18,19,22).
What are the key properties of 6-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 346.42 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133364406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).