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

C21H26ClN5O2 — CID 120642483

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

5-(4-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride (PubChem CID 120642483) has the molecular formula C21H26ClN5O2 and a molecular weight of 415.93 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 5-(4-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride
• PubChem CID: 120642483
• Molecular Formula: C21H26ClN5O2
• Molecular Weight: 415.93 g/mol
• Exact Mass: 415.18
• IUPAC Name: 5-(4-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride
• SMILES: CCc1ccc(-c2ccc(C(=O)Nc3nc(C4CCNCC4)nn3C)o2)cc1.Cl
• InChI: InChI=1S/C21H25N5O2.ClH/c1-3-14-4-6-15(7-5-14)17-8-9-18(28-17)20(27)24-21-23-19(25-26(21)2)16-10-12-22-13-11-16;/h4-9,16,22H,3,10-13H2,1-2H3,(H,23,24,25,27);1H
• InChIKey: NIIPALSRIKNJOI-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 84.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.93
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-(4-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride (CID 120642483) is 5-(4-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride.

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

The canonical SMILES for 5-(4-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride is CCc1ccc(-c2ccc(C(=O)Nc3nc(C4CCNCC4)nn3C)o2)cc1.Cl.

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

The InChIKey is NIIPALSRIKNJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2.ClH/c1-3-14-4-6-15(7-5-14)17-8-9-18(28-17)20(27)24-21-23-19(25-26(21)2)16-10-12-22-13-11-16;/h4-9,16,22H,3,10-13H2,1-2H3,(H,23,24,25,27);1H.

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

5-(4-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride has a molecular weight of 415.93 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 120642483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).