6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide

C23H27N7O — CID 71263653

About 6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide

6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide (PubChem CID 71263653) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide
• PubChem CID: 71263653
• Molecular Formula: C23H27N7O
• Molecular Weight: 417.52 g/mol
• Exact Mass: 417.23
• IUPAC Name: 6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide
• SMILES: Cc1nc(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)nc2C)nc(-c2ccccn2)n1
• InChI: InChI=1S/C23H27N7O/c1-14-11-15(2)13-30(12-14)20-9-8-18(16(3)25-20)22(31)29-23-27-17(4)26-21(28-23)19-7-5-6-10-24-19/h5-10,14-15H,11-13H2,1-4H3,(H,26,27,28,29,31)/t14-,15+
• InChIKey: RFGBUIDSPAVEGR-GASCZTMLSA-N
• XLogP: 3.68
• TPSA: 96.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.52
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide?

The IUPAC name of 6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide (CID 71263653) is 6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide.

What is the SMILES notation for 6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide?

The canonical SMILES for 6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide is Cc1nc(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)nc2C)nc(-c2ccccn2)n1.

What is the InChIKey of 6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide?

The InChIKey is RFGBUIDSPAVEGR-GASCZTMLSA-N. The full InChI is InChI=1S/C23H27N7O/c1-14-11-15(2)13-30(12-14)20-9-8-18(16(3)25-20)22(31)29-23-27-17(4)26-21(28-23)19-7-5-6-10-24-19/h5-10,14-15H,11-13H2,1-4H3,(H,26,27,28,29,31)/t14-,15+.

What are the key properties of 6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide?

6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide has a molecular weight of 417.52 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 71263653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).