4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(4-methoxycyclohexyl)oxy-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide

C22H24ClN5O4S — CID 166163344

About 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(4-methoxycyclohexyl)oxy-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide

4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(4-methoxycyclohexyl)oxy-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide (PubChem CID 166163344) has the molecular formula C22H24ClN5O4S and a molecular weight of 489.99 g/mol. Its IUPAC name is 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(4-methoxycyclohexyl)oxy-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(4-methoxycyclohexyl)oxy-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
• PubChem CID: 166163344
• Molecular Formula: C22H24ClN5O4S
• Molecular Weight: 489.99 g/mol
• Exact Mass: 489.12
• IUPAC Name: 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(4-methoxycyclohexyl)oxy-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
• SMILES: COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2CCC(OC)CC2)s1
• InChI: InChI=1S/C22H24ClN5O4S/c1-12-8-15(16-9-19(23)25-11-18(16)31-3)17(10-24-12)20(29)26-21-27-28-22(33-21)32-14-6-4-13(30-2)5-7-14/h8-11,13-14H,4-7H2,1-3H3,(H,26,27,29)
• InChIKey: MMLWMSFRIBVJQT-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 108.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.99
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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)-N-[5-(4-methoxycyclohexyl)oxy-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide?

The IUPAC name of 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(4-methoxycyclohexyl)oxy-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide (CID 166163344) is 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(4-methoxycyclohexyl)oxy-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide.

What is the SMILES notation for 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(4-methoxycyclohexyl)oxy-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide?

The canonical SMILES for 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(4-methoxycyclohexyl)oxy-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide is COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC2CCC(OC)CC2)s1.

What is the InChIKey of 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(4-methoxycyclohexyl)oxy-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide?

The InChIKey is MMLWMSFRIBVJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O4S/c1-12-8-15(16-9-19(23)25-11-18(16)31-3)17(10-24-12)20(29)26-21-27-28-22(33-21)32-14-6-4-13(30-2)5-7-14/h8-11,13-14H,4-7H2,1-3H3,(H,26,27,29).

What are the key properties of 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(4-methoxycyclohexyl)oxy-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide?

4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(4-methoxycyclohexyl)oxy-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 489.99 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(4-methoxycyclohexyl)oxy-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 166163344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).