2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide

C24H26N8OS — CID 138587812

About 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide

2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide (PubChem CID 138587812) has the molecular formula C24H26N8OS and a molecular weight of 474.59 g/mol. Its IUPAC name is 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
• PubChem CID: 138587812
• Molecular Formula: C24H26N8OS
• Molecular Weight: 474.59 g/mol
• Exact Mass: 474.20
• IUPAC Name: 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
• SMILES: Cc1nnc(-c2cc3cc(NC(=O)c4ccnc(N(C)C5CCN(C)CC5)c4)ncc3cn2)s1
• InChI: InChI=1S/C24H26N8OS/c1-15-29-30-24(34-15)20-10-17-11-21(27-14-18(17)13-26-20)28-23(33)16-4-7-25-22(12-16)32(3)19-5-8-31(2)9-6-19/h4,7,10-14,19H,5-6,8-9H2,1-3H3,(H,27,28,33)
• InChIKey: XMLBHCIXLUKJAO-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 100.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.59
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide?

The IUPAC name of 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide (CID 138587812) is 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide.

What is the SMILES notation for 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide?

The canonical SMILES for 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide is Cc1nnc(-c2cc3cc(NC(=O)c4ccnc(N(C)C5CCN(C)CC5)c4)ncc3cn2)s1.

What is the InChIKey of 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide?

The InChIKey is XMLBHCIXLUKJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8OS/c1-15-29-30-24(34-15)20-10-17-11-21(27-14-18(17)13-26-20)28-23(33)16-4-7-25-22(12-16)32(3)19-5-8-31(2)9-6-19/h4,7,10-14,19H,5-6,8-9H2,1-3H3,(H,27,28,33).

What are the key properties of 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide?

2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide has a molecular weight of 474.59 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 138587812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).