4-[(3-methyl-2-pyridinyl)methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide

C19H29N7O — CID 121496771

About 4-[(3-methyl-2-pyridinyl)methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide

4-[(3-methyl-2-pyridinyl)methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide (PubChem CID 121496771) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-[(3-methyl-2-pyridinyl)methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[(3-methyl-2-pyridinyl)methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide
• PubChem CID: 121496771
• Molecular Formula: C19H29N7O
• Molecular Weight: 371.49 g/mol
• Exact Mass: 371.24
• IUPAC Name: 4-[(3-methyl-2-pyridinyl)methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide
• SMILES: Cc1cccnc1CN1CCN(C(=O)NCCc2nncn2C(C)C)CC1
• InChI: InChI=1S/C19H29N7O/c1-15(2)26-14-22-23-18(26)6-8-21-19(27)25-11-9-24(10-12-25)13-17-16(3)5-4-7-20-17/h4-5,7,14-15H,6,8-13H2,1-3H3,(H,21,27)
• InChIKey: AXLBEPHSNAZHKF-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.49
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-pyridinyl)methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide?

The IUPAC name of 4-[(3-methyl-2-pyridinyl)methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide (CID 121496771) is 4-[(3-methyl-2-pyridinyl)methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide.

What is the SMILES notation for 4-[(3-methyl-2-pyridinyl)methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide?

The canonical SMILES for 4-[(3-methyl-2-pyridinyl)methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide is Cc1cccnc1CN1CCN(C(=O)NCCc2nncn2C(C)C)CC1.

What is the InChIKey of 4-[(3-methyl-2-pyridinyl)methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide?

The InChIKey is AXLBEPHSNAZHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-15(2)26-14-22-23-18(26)6-8-21-19(27)25-11-9-24(10-12-25)13-17-16(3)5-4-7-20-17/h4-5,7,14-15H,6,8-13H2,1-3H3,(H,21,27).

What are the key properties of 4-[(3-methyl-2-pyridinyl)methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide?

4-[(3-methyl-2-pyridinyl)methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-methyl-2-pyridinyl)methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 121496771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).