5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxy-N-(5-methoxy-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide

C16H14ClN5O4S — CID 166162842

About 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxy-N-(5-methoxy-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide

5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxy-N-(5-methoxy-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide (PubChem CID 166162842) has the molecular formula C16H14ClN5O4S and a molecular weight of 407.84 g/mol. Its IUPAC name is 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxy-N-(5-methoxy-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxy-N-(5-methoxy-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
• PubChem CID: 166162842
• Molecular Formula: C16H14ClN5O4S
• Molecular Weight: 407.84 g/mol
• Exact Mass: 407.05
• IUPAC Name: 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxy-N-(5-methoxy-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
• SMILES: COc1cc(C(=O)Nc2nnc(OC)s2)c(-c2cc(Cl)ncc2OC)cn1
• InChI: InChI=1S/C16H14ClN5O4S/c1-24-11-7-18-12(17)4-8(11)10-6-19-13(25-2)5-9(10)14(23)20-15-21-22-16(26-3)27-15/h4-7H,1-3H3,(H,20,21,23)
• InChIKey: YAWKPBKUGKKAGN-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 108.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.84
LogP ≤ 5	2.93
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 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxy-N-(5-methoxy-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide?

The IUPAC name of 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxy-N-(5-methoxy-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide (CID 166162842) is 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxy-N-(5-methoxy-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide.

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

The canonical SMILES for 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxy-N-(5-methoxy-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide is COc1cc(C(=O)Nc2nnc(OC)s2)c(-c2cc(Cl)ncc2OC)cn1.

What is the InChIKey of 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxy-N-(5-methoxy-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide?

The InChIKey is YAWKPBKUGKKAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O4S/c1-24-11-7-18-12(17)4-8(11)10-6-19-13(25-2)5-9(10)14(23)20-15-21-22-16(26-3)27-15/h4-7H,1-3H3,(H,20,21,23).

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

5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxy-N-(5-methoxy-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 407.84 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxy-N-(5-methoxy-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 166162842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).