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

C22H23ClN4O3 — CID 112803199

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

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyridine-2-carboxamide (PubChem CID 112803199) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyridine-2-carboxamide
• PubChem CID: 112803199
• Molecular Formula: C22H23ClN4O3
• Molecular Weight: 426.90 g/mol
• Exact Mass: 426.15
• IUPAC Name: 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyridine-2-carboxamide
• SMILES: CCOc1cc2c(cc1NC(=O)c1nc(-n3nc(C)cc3C)ccc1Cl)OC(C)C2
• InChI: InChI=1S/C22H23ClN4O3/c1-5-29-19-10-15-9-14(4)30-18(15)11-17(19)24-22(28)21-16(23)6-7-20(25-21)27-13(3)8-12(2)26-27/h6-8,10-11,14H,5,9H2,1-4H3,(H,24,28)
• InChIKey: DVMSKQXMQDGEQI-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.90
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyridine-2-carboxamide (CID 112803199) is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyridine-2-carboxamide.

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

The canonical SMILES for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyridine-2-carboxamide is CCOc1cc2c(cc1NC(=O)c1nc(-n3nc(C)cc3C)ccc1Cl)OC(C)C2.

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

The InChIKey is DVMSKQXMQDGEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-5-29-19-10-15-9-14(4)30-18(15)11-17(19)24-22(28)21-16(23)6-7-20(25-21)27-13(3)8-12(2)26-27/h6-8,10-11,14H,5,9H2,1-4H3,(H,24,28).

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

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyridine-2-carboxamide has a molecular weight of 426.90 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyridine-2-carboxamide is sourced from PubChem (CID 112803199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).