5-(methylamino)-6-(1-phenylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C22H20N6O2S — CID 121407459

About 5-(methylamino)-6-(1-phenylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

5-(methylamino)-6-(1-phenylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 121407459) has the molecular formula C22H20N6O2S and a molecular weight of 432.51 g/mol. Its IUPAC name is 5-(methylamino)-6-(1-phenylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(methylamino)-6-(1-phenylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
• PubChem CID: 121407459
• Molecular Formula: C22H20N6O2S
• Molecular Weight: 432.51 g/mol
• Exact Mass: 432.14
• IUPAC Name: 5-(methylamino)-6-(1-phenylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
• SMILES: CNc1cc(C(=O)Nc2nnc(-c3ccncc3)s2)cnc1OC(C)c1ccccc1
• InChI: InChI=1S/C22H20N6O2S/c1-14(15-6-4-3-5-7-15)30-20-18(23-2)12-17(13-25-20)19(29)26-22-28-27-21(31-22)16-8-10-24-11-9-16/h3-14,23H,1-2H3,(H,26,28,29)
• InChIKey: GZEYCEHGXRXPAD-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 101.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.51
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-6-(1-phenylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The IUPAC name of 5-(methylamino)-6-(1-phenylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 121407459) is 5-(methylamino)-6-(1-phenylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

What is the SMILES notation for 5-(methylamino)-6-(1-phenylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The canonical SMILES for 5-(methylamino)-6-(1-phenylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CNc1cc(C(=O)Nc2nnc(-c3ccncc3)s2)cnc1OC(C)c1ccccc1.

What is the InChIKey of 5-(methylamino)-6-(1-phenylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The InChIKey is GZEYCEHGXRXPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2S/c1-14(15-6-4-3-5-7-15)30-20-18(23-2)12-17(13-25-20)19(29)26-22-28-27-21(31-22)16-8-10-24-11-9-16/h3-14,23H,1-2H3,(H,26,28,29).

What are the key properties of 5-(methylamino)-6-(1-phenylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

5-(methylamino)-6-(1-phenylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(methylamino)-6-(1-phenylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121407459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).