4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide;2,2-dimethyloxolane

C21H24ClN5O4S — CID 166163267

About 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide;2,2-dimethyloxolane

4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide;2,2-dimethyloxolane (PubChem CID 166163267) has the molecular formula C21H24ClN5O4S and a molecular weight of 477.97 g/mol. Its IUPAC name is 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide;2,2-dimethyloxolane.

Molecular Properties

• Compound Name: 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide;2,2-dimethyloxolane
• PubChem CID: 166163267
• Molecular Formula: C21H24ClN5O4S
• Molecular Weight: 477.97 g/mol
• Exact Mass: 477.12
• IUPAC Name: 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide;2,2-dimethyloxolane
• SMILES: CC1(C)CCCO1.COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1n[nH]c(=O)s1
• InChI: InChI=1S/C15H12ClN5O3S.C6H12O/c1-7-3-8(9-4-12(16)18-6-11(9)24-2)10(5-17-7)13(22)19-14-20-21-15(23)25-14;1-6(2)4-3-5-7-6/h3-6H,1-2H3,(H,21,23)(H,19,20,22);3-5H2,1-2H3
• InChIKey: FINWBWZVGFRFCY-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 119.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.97
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide;2,2-dimethyloxolane?

The IUPAC name of 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide;2,2-dimethyloxolane (CID 166163267) is 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide;2,2-dimethyloxolane.

What is the SMILES notation for 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide;2,2-dimethyloxolane?

The canonical SMILES for 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide;2,2-dimethyloxolane is CC1(C)CCCO1.COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1n[nH]c(=O)s1.

What is the InChIKey of 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide;2,2-dimethyloxolane?

The InChIKey is FINWBWZVGFRFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O3S.C6H12O/c1-7-3-8(9-4-12(16)18-6-11(9)24-2)10(5-17-7)13(22)19-14-20-21-15(23)25-14;1-6(2)4-3-5-7-6/h3-6H,1-2H3,(H,21,23)(H,19,20,22);3-5H2,1-2H3.

What are the key properties of 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide;2,2-dimethyloxolane?

4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide;2,2-dimethyloxolane has a molecular weight of 477.97 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide;2,2-dimethyloxolane is sourced from PubChem (CID 166163267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).