1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide

C26H26N2O4 — CID 59166167

About 1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 59166167) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
• PubChem CID: 59166167
• Molecular Formula: C26H26N2O4
• Molecular Weight: 430.50 g/mol
• Exact Mass: 430.19
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
• SMILES: COc1ccc(C(C)C)cc1-c1cccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)n1
• InChI: InChI=1S/C26H26N2O4/c1-16(2)17-7-9-21(30-3)19(13-17)20-5-4-6-24(27-20)28-25(29)26(11-12-26)18-8-10-22-23(14-18)32-15-31-22/h4-10,13-14,16H,11-12,15H2,1-3H3,(H,27,28,29)
• InChIKey: JIVRGURBYPCHBO-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 69.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.50
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide (CID 59166167) is 1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide is COc1ccc(C(C)C)cc1-c1cccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)n1.

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?

The InChIKey is JIVRGURBYPCHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-16(2)17-7-9-21(30-3)19(13-17)20-5-4-6-24(27-20)28-25(29)26(11-12-26)18-8-10-22-23(14-18)32-15-31-22/h4-10,13-14,16H,11-12,15H2,1-3H3,(H,27,28,29).

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?

1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 430.50 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59166167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).