1-(1,3-benzodioxol-5-yl)-N-[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

C25H26N2O4 — CID 159418903

About 1-(1,3-benzodioxol-5-yl)-N-[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 159418903) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 159418903
• Molecular Formula: C25H26N2O4
• Molecular Weight: 418.49 g/mol
• Exact Mass: 418.19
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CC(C)Oc1cccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)c1.[H][H]
• InChI: InChI=1S/C25H24N2O4.H2/c1-16(2)31-19-6-3-5-17(13-19)20-7-4-8-23(26-20)27-24(28)25(11-12-25)18-9-10-21-22(14-18)30-15-29-21;/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,26,27,28);1H
• InChIKey: LPNAGMKMRDZDKZ-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 69.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.49
LogP ≤ 5	5.18
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-(3-propan-2-yloxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 159418903) is 1-(1,3-benzodioxol-5-yl)-N-[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

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

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is CC(C)Oc1cccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)c1.[H][H].

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

The InChIKey is LPNAGMKMRDZDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4.H2/c1-16(2)31-19-6-3-5-17(13-19)20-7-4-8-23(26-20)27-24(28)25(11-12-25)18-9-10-21-22(14-18)30-15-29-21;/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,26,27,28);1H.

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

1-(1,3-benzodioxol-5-yl)-N-[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 418.49 g/mol, XLogP of 5.18, 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-(3-propan-2-yloxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 159418903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).