5-(3-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-3-carboxamide;hydrochloride

C21H25ClN6O — CID 120643584

About 5-(3-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-3-carboxamide;hydrochloride

5-(3-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-3-carboxamide;hydrochloride (PubChem CID 120643584) has the molecular formula C21H25ClN6O and a molecular weight of 412.93 g/mol. Its IUPAC name is 5-(3-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 5-(3-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-3-carboxamide;hydrochloride
• PubChem CID: 120643584
• Molecular Formula: C21H25ClN6O
• Molecular Weight: 412.93 g/mol
• Exact Mass: 412.18
• IUPAC Name: 5-(3-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-3-carboxamide;hydrochloride
• SMILES: Cc1cccc(-c2cncc(C(=O)Nc3nc(C4CCNCC4)nn3C)c2)c1.Cl
• InChI: InChI=1S/C21H24N6O.ClH/c1-14-4-3-5-16(10-14)17-11-18(13-23-12-17)20(28)25-21-24-19(26-27(21)2)15-6-8-22-9-7-15;/h3-5,10-13,15,22H,6-9H2,1-2H3,(H,24,25,26,28);1H
• InChIKey: RHZAKVHCBLUHRY-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.93
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-3-carboxamide;hydrochloride?

The IUPAC name of 5-(3-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-3-carboxamide;hydrochloride (CID 120643584) is 5-(3-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-3-carboxamide;hydrochloride.

What is the SMILES notation for 5-(3-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-3-carboxamide;hydrochloride?

The canonical SMILES for 5-(3-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-3-carboxamide;hydrochloride is Cc1cccc(-c2cncc(C(=O)Nc3nc(C4CCNCC4)nn3C)c2)c1.Cl.

What is the InChIKey of 5-(3-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-3-carboxamide;hydrochloride?

The InChIKey is RHZAKVHCBLUHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O.ClH/c1-14-4-3-5-16(10-14)17-11-18(13-23-12-17)20(28)25-21-24-19(26-27(21)2)15-6-8-22-9-7-15;/h3-5,10-13,15,22H,6-9H2,1-2H3,(H,24,25,26,28);1H.

What are the key properties of 5-(3-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-3-carboxamide;hydrochloride?

5-(3-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 412.93 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120643584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).