1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide

C24H22N2O4 — CID 59166240

About 1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 59166240) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide
• PubChem CID: 59166240
• Molecular Formula: C24H22N2O4
• Molecular Weight: 402.45 g/mol
• Exact Mass: 402.16
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide
• SMILES: Cc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ncc1-c1ccccc1CO
• InChI: InChI=1S/C24H22N2O4/c1-15-10-22(25-12-19(15)18-5-3-2-4-16(18)13-27)26-23(28)24(8-9-24)17-6-7-20-21(11-17)30-14-29-20/h2-7,10-12,27H,8-9,13-14H2,1H3,(H,25,26,28)
• InChIKey: HFGSVAOUGKZVQO-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 80.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.45
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide (CID 59166240) is 1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide is Cc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ncc1-c1ccccc1CO.

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide?

The InChIKey is HFGSVAOUGKZVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-15-10-22(25-12-19(15)18-5-3-2-4-16(18)13-27)26-23(28)24(8-9-24)17-6-7-20-21(11-17)30-14-29-20/h2-7,10-12,27H,8-9,13-14H2,1H3,(H,25,26,28).

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide?

1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59166240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).