1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-6-oxopyridine-3-carboxamide

C23H21ClN2O4 — CID 42886096

About 1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-6-oxopyridine-3-carboxamide

1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-6-oxopyridine-3-carboxamide (PubChem CID 42886096) has the molecular formula C23H21ClN2O4 and a molecular weight of 424.88 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-6-oxopyridine-3-carboxamide
• PubChem CID: 42886096
• Molecular Formula: C23H21ClN2O4
• Molecular Weight: 424.88 g/mol
• Exact Mass: 424.12
• IUPAC Name: 1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-6-oxopyridine-3-carboxamide
• SMILES: CN(CC1COc2ccccc2O1)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1
• InChI: InChI=1S/C23H21ClN2O4/c1-25(14-18-15-29-20-8-4-5-9-21(20)30-18)23(28)17-10-11-22(27)26(13-17)12-16-6-2-3-7-19(16)24/h2-11,13,18H,12,14-15H2,1H3
• InChIKey: FGSVGLZKBVAHOD-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 60.77 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.88
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-6-oxopyridine-3-carboxamide?

The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-6-oxopyridine-3-carboxamide (CID 42886096) is 1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-6-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-6-oxopyridine-3-carboxamide?

The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-6-oxopyridine-3-carboxamide is CN(CC1COc2ccccc2O1)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1.

What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-6-oxopyridine-3-carboxamide?

The InChIKey is FGSVGLZKBVAHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4/c1-25(14-18-15-29-20-8-4-5-9-21(20)30-18)23(28)17-10-11-22(27)26(13-17)12-16-6-2-3-7-19(16)24/h2-11,13,18H,12,14-15H2,1H3.

What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-6-oxopyridine-3-carboxamide?

1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 424.88 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 42886096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).