5-(5-methylfuran-2-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide

C21H25N5O2 — CID 112829886

About 5-(5-methylfuran-2-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide

5-(5-methylfuran-2-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 112829886) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(5-methylfuran-2-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
• PubChem CID: 112829886
• Molecular Formula: C21H25N5O2
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.20
• IUPAC Name: 5-(5-methylfuran-2-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
• SMILES: Cc1ccc(-c2cc(C(=O)NCc3ccc(N4CCC(C)CC4)nc3)n[nH]2)o1
• InChI: InChI=1S/C21H25N5O2/c1-14-7-9-26(10-8-14)20-6-4-16(12-22-20)13-23-21(27)18-11-17(24-25-18)19-5-3-15(2)28-19/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,23,27)(H,24,25)
• InChIKey: GVEPDRDLWPWLEJ-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 87.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.46
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide?

The IUPAC name of 5-(5-methylfuran-2-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide (CID 112829886) is 5-(5-methylfuran-2-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide.

What is the SMILES notation for 5-(5-methylfuran-2-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide?

The canonical SMILES for 5-(5-methylfuran-2-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3ccc(N4CCC(C)CC4)nc3)n[nH]2)o1.

What is the InChIKey of 5-(5-methylfuran-2-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide?

The InChIKey is GVEPDRDLWPWLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-14-7-9-26(10-8-14)20-6-4-16(12-22-20)13-23-21(27)18-11-17(24-25-18)19-5-3-15(2)28-19/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,23,27)(H,24,25).

What are the key properties of 5-(5-methylfuran-2-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide?

5-(5-methylfuran-2-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-methylfuran-2-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 112829886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).