N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyridine-3-carboxamide

C17H19N7O — CID 51108012

About N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyridine-3-carboxamide

N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 51108012) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyridine-3-carboxamide
• PubChem CID: 51108012
• Molecular Formula: C17H19N7O
• Molecular Weight: 337.39 g/mol
• Exact Mass: 337.17
• IUPAC Name: N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyridine-3-carboxamide
• SMILES: Cc1cc(N2CCC(NC(=O)c3cccnc3)CC2)n2ncnc2n1
• InChI: InChI=1S/C17H19N7O/c1-12-9-15(24-17(21-12)19-11-20-24)23-7-4-14(5-8-23)22-16(25)13-3-2-6-18-10-13/h2-3,6,9-11,14H,4-5,7-8H2,1H3,(H,22,25)
• InChIKey: YPEYVXXBHALCTG-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 88.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.39
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyridine-3-carboxamide?

The IUPAC name of N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyridine-3-carboxamide (CID 51108012) is N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyridine-3-carboxamide is Cc1cc(N2CCC(NC(=O)c3cccnc3)CC2)n2ncnc2n1.

What is the InChIKey of N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyridine-3-carboxamide?

The InChIKey is YPEYVXXBHALCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-12-9-15(24-17(21-12)19-11-20-24)23-7-4-14(5-8-23)22-16(25)13-3-2-6-18-10-13/h2-3,6,9-11,14H,4-5,7-8H2,1H3,(H,22,25).

What are the key properties of N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyridine-3-carboxamide?

N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 51108012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).