N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C22H26N6O2 — CID 71684974

About N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 71684974) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 71684974
• Molecular Formula: C22H26N6O2
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.21
• IUPAC Name: N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)c1nc2nccc(C)n2n1
• InChI: InChI=1S/C22H26N6O2/c1-13-9-14(2)12-27(11-13)21(30)17-6-5-15(3)18(10-17)24-20(29)19-25-22-23-8-7-16(4)28(22)26-19/h5-8,10,13-14H,9,11-12H2,1-4H3,(H,24,29)
• InChIKey: UBQUJUZAFPKNJL-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 92.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 71684974) is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)c1nc2nccc(C)n2n1.

What is the InChIKey of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is UBQUJUZAFPKNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-13-9-14(2)12-27(11-13)21(30)17-6-5-15(3)18(10-17)24-20(29)19-25-22-23-8-7-16(4)28(22)26-19/h5-8,10,13-14H,9,11-12H2,1-4H3,(H,24,29).

What are the key properties of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 71684974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).