N-(6,8-dimethylisoquinolin-1-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[(3R)-piperidin-3-yl]pyridine-3-carboxamide

C25H26N6OS — CID 172532882

About N-(6,8-dimethylisoquinolin-1-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[(3R)-piperidin-3-yl]pyridine-3-carboxamide

N-(6,8-dimethylisoquinolin-1-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[(3R)-piperidin-3-yl]pyridine-3-carboxamide (PubChem CID 172532882) has the molecular formula C25H26N6OS and a molecular weight of 458.59 g/mol. Its IUPAC name is N-(6,8-dimethylisoquinolin-1-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[(3R)-piperidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(6,8-dimethylisoquinolin-1-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[(3R)-piperidin-3-yl]pyridine-3-carboxamide
• PubChem CID: 172532882
• Molecular Formula: C25H26N6OS
• Molecular Weight: 458.59 g/mol
• Exact Mass: 458.19
• IUPAC Name: N-(6,8-dimethylisoquinolin-1-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[(3R)-piperidin-3-yl]pyridine-3-carboxamide
• SMILES: Cc1cc(C)c2c(N(C(=O)c3ccc(-c4nnc(C)s4)nc3)[C@@H]3CCCNC3)nccc2c1
• InChI: InChI=1S/C25H26N6OS/c1-15-11-16(2)22-18(12-15)8-10-27-23(22)31(20-5-4-9-26-14-20)25(32)19-6-7-21(28-13-19)24-30-29-17(3)33-24/h6-8,10-13,20,26H,4-5,9,14H2,1-3H3/t20-/m1/s1
• InChIKey: CTCGDIQYRCQJEK-HXUWFJFHSA-N
• XLogP: 4.47
• TPSA: 83.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.59
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6,8-dimethylisoquinolin-1-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[(3R)-piperidin-3-yl]pyridine-3-carboxamide?

The IUPAC name of N-(6,8-dimethylisoquinolin-1-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[(3R)-piperidin-3-yl]pyridine-3-carboxamide (CID 172532882) is N-(6,8-dimethylisoquinolin-1-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[(3R)-piperidin-3-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-(6,8-dimethylisoquinolin-1-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[(3R)-piperidin-3-yl]pyridine-3-carboxamide?

The canonical SMILES for N-(6,8-dimethylisoquinolin-1-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[(3R)-piperidin-3-yl]pyridine-3-carboxamide is Cc1cc(C)c2c(N(C(=O)c3ccc(-c4nnc(C)s4)nc3)[C@@H]3CCCNC3)nccc2c1.

What is the InChIKey of N-(6,8-dimethylisoquinolin-1-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[(3R)-piperidin-3-yl]pyridine-3-carboxamide?

The InChIKey is CTCGDIQYRCQJEK-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H26N6OS/c1-15-11-16(2)22-18(12-15)8-10-27-23(22)31(20-5-4-9-26-14-20)25(32)19-6-7-21(28-13-19)24-30-29-17(3)33-24/h6-8,10-13,20,26H,4-5,9,14H2,1-3H3/t20-/m1/s1.

What are the key properties of N-(6,8-dimethylisoquinolin-1-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[(3R)-piperidin-3-yl]pyridine-3-carboxamide?

N-(6,8-dimethylisoquinolin-1-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[(3R)-piperidin-3-yl]pyridine-3-carboxamide has a molecular weight of 458.59 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6,8-dimethylisoquinolin-1-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)-N-[(3R)-piperidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 172532882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).