4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide

C24H21ClN6O4S — CID 170550676

About 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide

4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide (PubChem CID 170550676) has the molecular formula C24H21ClN6O4S and a molecular weight of 524.99 g/mol. Its IUPAC name is 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
• PubChem CID: 170550676
• Molecular Formula: C24H21ClN6O4S
• Molecular Weight: 524.99 g/mol
• Exact Mass: 524.10
• IUPAC Name: 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
• SMILES: COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OCc2ccc3c(n2)CCOC3)s1
• InChI: InChI=1S/C24H21ClN6O4S/c1-13-7-16(17-8-21(25)27-10-20(17)33-2)18(9-26-13)22(32)29-23-30-31-24(36-23)35-12-15-4-3-14-11-34-6-5-19(14)28-15/h3-4,7-10H,5-6,11-12H2,1-2H3,(H,29,30,32)
• InChIKey: VJZVBMZTZVLXBG-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 121.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.99
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide?

The IUPAC name of 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide (CID 170550676) is 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-ylmethoxy)-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-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide?

The canonical SMILES for 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide is COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OCc2ccc3c(n2)CCOC3)s1.

What is the InChIKey of 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide?

The InChIKey is VJZVBMZTZVLXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O4S/c1-13-7-16(17-8-21(25)27-10-20(17)33-2)18(9-26-13)22(32)29-23-30-31-24(36-23)35-12-15-4-3-14-11-34-6-5-19(14)28-15/h3-4,7-10H,5-6,11-12H2,1-2H3,(H,29,30,32).

What are the key properties of 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide?

4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 524.99 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 170550676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).