5-methyl-N-[[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-3-yl]methyl]pyrazine-2-carboxamide

C18H25N7O2 — CID 131920940

About 5-methyl-N-[[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-3-yl]methyl]pyrazine-2-carboxamide

5-methyl-N-[[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-3-yl]methyl]pyrazine-2-carboxamide (PubChem CID 131920940) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 5-methyl-N-[[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-3-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-3-yl]methyl]pyrazine-2-carboxamide
• PubChem CID: 131920940
• Molecular Formula: C18H25N7O2
• Molecular Weight: 371.45 g/mol
• Exact Mass: 371.21
• IUPAC Name: 5-methyl-N-[[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-3-yl]methyl]pyrazine-2-carboxamide
• SMILES: Cc1cnc(C(=O)NCC2CCCN(C(=O)CCCn3cncn3)C2)cn1
• InChI: InChI=1S/C18H25N7O2/c1-14-8-21-16(10-20-14)18(27)22-9-15-4-2-6-24(11-15)17(26)5-3-7-25-13-19-12-23-25/h8,10,12-13,15H,2-7,9,11H2,1H3,(H,22,27)
• InChIKey: UCEGICSSMNIDQI-UHFFFAOYSA-N
• XLogP: 0.83
• TPSA: 105.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.45
LogP ≤ 5	0.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-3-yl]methyl]pyrazine-2-carboxamide?

The IUPAC name of 5-methyl-N-[[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-3-yl]methyl]pyrazine-2-carboxamide (CID 131920940) is 5-methyl-N-[[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-3-yl]methyl]pyrazine-2-carboxamide.

What is the SMILES notation for 5-methyl-N-[[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-3-yl]methyl]pyrazine-2-carboxamide?

The canonical SMILES for 5-methyl-N-[[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-3-yl]methyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NCC2CCCN(C(=O)CCCn3cncn3)C2)cn1.

What is the InChIKey of 5-methyl-N-[[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-3-yl]methyl]pyrazine-2-carboxamide?

The InChIKey is UCEGICSSMNIDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-14-8-21-16(10-20-14)18(27)22-9-15-4-2-6-24(11-15)17(26)5-3-7-25-13-19-12-23-25/h8,10,12-13,15H,2-7,9,11H2,1H3,(H,22,27).

What are the key properties of 5-methyl-N-[[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-3-yl]methyl]pyrazine-2-carboxamide?

5-methyl-N-[[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-3-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 371.45 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-3-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 131920940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).