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

C22H26N8O — CID 70814423

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

6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide (PubChem CID 70814423) has the molecular formula C22H26N8O and a molecular weight of 418.51 g/mol. Its IUPAC name is 6-[(3R,5S)-3,5-dimethylpiperazin-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-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide
• PubChem CID: 70814423
• Molecular Formula: C22H26N8O
• Molecular Weight: 418.51 g/mol
• Exact Mass: 418.22
• IUPAC Name: 6-[(3R,5S)-3,5-dimethylpiperazin-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)N[C@@H](C)C3)nc2C)nc(-c2ccccn2)n1
• InChI: InChI=1S/C22H26N8O/c1-13-11-30(12-14(2)24-13)19-9-8-17(15(3)25-19)21(31)29-22-27-16(4)26-20(28-22)18-7-5-6-10-23-18/h5-10,13-14,24H,11-12H2,1-4H3,(H,26,27,28,29,31)/t13-,14+
• InChIKey: DPFPPHSCOCUGOH-OKILXGFUSA-N
• XLogP: 2.38
• TPSA: 108.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.51
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[(3R,5S)-3,5-dimethylpiperazin-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-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide (CID 70814423) is 6-[(3R,5S)-3,5-dimethylpiperazin-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-[(3R,5S)-3,5-dimethylpiperazin-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-[(3R,5S)-3,5-dimethylpiperazin-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)N[C@@H](C)C3)nc2C)nc(-c2ccccn2)n1.

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

The InChIKey is DPFPPHSCOCUGOH-OKILXGFUSA-N. The full InChI is InChI=1S/C22H26N8O/c1-13-11-30(12-14(2)24-13)19-9-8-17(15(3)25-19)21(31)29-22-27-16(4)26-20(28-22)18-7-5-6-10-23-18/h5-10,13-14,24H,11-12H2,1-4H3,(H,26,27,28,29,31)/t13-,14+.

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

6-[(3R,5S)-3,5-dimethylpiperazin-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 418.51 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3R,5S)-3,5-dimethylpiperazin-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 70814423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).