N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C19H19N5O3 — CID 60571185

About N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 60571185) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
• PubChem CID: 60571185
• Molecular Formula: C19H19N5O3
• Molecular Weight: 365.39 g/mol
• Exact Mass: 365.15
• IUPAC Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
• SMILES: CCOc1cc2c(cc1NC(=O)c1ccnc(-n3cncn3)c1)OC(C)C2
• InChI: InChI=1S/C19H19N5O3/c1-3-26-17-7-14-6-12(2)27-16(14)9-15(17)23-19(25)13-4-5-21-18(8-13)24-11-20-10-22-24/h4-5,7-12H,3,6H2,1-2H3,(H,23,25)
• InChIKey: VKUBZBWMJGWFEO-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 91.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.39
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?

The IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 60571185) is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

What is the SMILES notation for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?

The canonical SMILES for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is CCOc1cc2c(cc1NC(=O)c1ccnc(-n3cncn3)c1)OC(C)C2.

What is the InChIKey of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?

The InChIKey is VKUBZBWMJGWFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-3-26-17-7-14-6-12(2)27-16(14)9-15(17)23-19(25)13-4-5-21-18(8-13)24-11-20-10-22-24/h4-5,7-12H,3,6H2,1-2H3,(H,23,25).

What are the key properties of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 60571185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).