1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,6-dimethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

C122H114N10O21 — CID 160547818

About 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,6-dimethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,6-dimethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 160547818) has the molecular formula C122H114N10O21 and a molecular weight of 2056.30 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,6-dimethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,6-dimethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 160547818
• Molecular Formula: C122H114N10O21
• Molecular Weight: 2056.30 g/mol
• Exact Mass: 2054.82
• IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,6-dimethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CC(=O)Nc1cccc(-c2cccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)c1.CN(C)c1ccc(-c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)cc1.COc1ccc(C)cc1-c1cccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)n1.COc1cccc(OC)c1-c1cccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)n1.COc1ncc(-c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)c(OC)n1.[H][H]
• InChI: InChI=1S/C25H22N2O4.C25H24N2O3.C25H23NO5.C24H22N2O4.C23H21N3O5.H2/c1-16(28)26-19-5-2-4-17(12-19)21-7-3-6-20(27-21)14-24(29)25(10-11-25)18-8-9-22-23(13-18)31-15-30-22;1-27(2)21-8-4-17(5-9-21)18-3-7-20(26-15-18)14-24(28)25(11-12-25)19-6-10-22-23(13-19)30-16-29-22;1-28-20-7-4-8-21(29-2)24(20)18-6-3-5-17(26-18)14-23(27)25(11-12-25)16-9-10-19-22(13-16)31-15-30-19;1-15-6-8-19(28-2)17(12-15)18-4-3-5-22(25-18)26-23(27)24(10-11-24)16-7-9-20-21(13-16)30-14-29-20;1-28-21-17(12-25-22(26-21)29-2)14-3-5-16(24-11-14)10-20(27)23(7-8-23)15-4-6-18-19(9-15)31-13-30-18;/h2-9,12-13H,10-11,14-15H2,1H3,(H,26,28);3-10,13,15H,11-12,14,16H2,1-2H3;3-10,13H,11-12,14-15H2,1-2H3;3-9,12-13H,10-11,14H2,1-2H3,(H,25,26,27);3-6,9,11-12H,7-8,10,13H2,1-2H3;1H
• InChIKey: QXQVSUXUPAWPQF-UHFFFAOYSA-N
• XLogP: 20.84
• TPSA: 358.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 31
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2056.30
LogP ≤ 5	20.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,6-dimethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,6-dimethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 160547818) is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,6-dimethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,6-dimethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,6-dimethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is CC(=O)Nc1cccc(-c2cccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)c1.CN(C)c1ccc(-c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)cc1.COc1ccc(C)cc1-c1cccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)n1.COc1cccc(OC)c1-c1cccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)n1.COc1ncc(-c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)c(OC)n1.[H][H].

What is the InChIKey of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,6-dimethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is QXQVSUXUPAWPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4.C25H24N2O3.C25H23NO5.C24H22N2O4.C23H21N3O5.H2/c1-16(28)26-19-5-2-4-17(12-19)21-7-3-6-20(27-21)14-24(29)25(10-11-25)18-8-9-22-23(13-18)31-15-30-22;1-27(2)21-8-4-17(5-9-21)18-3-7-20(26-15-18)14-24(28)25(11-12-25)19-6-10-22-23(13-19)30-16-29-22;1-28-20-7-4-8-21(29-2)24(20)18-6-3-5-17(26-18)14-23(27)25(11-12-25)16-9-10-19-22(13-16)31-15-30-19;1-15-6-8-19(28-2)17(12-15)18-4-3-5-22(25-18)26-23(27)24(10-11-24)16-7-9-20-21(13-16)30-14-29-20;1-28-21-17(12-25-22(26-21)29-2)14-3-5-16(24-11-14)10-20(27)23(7-8-23)15-4-6-18-19(9-15)31-13-30-18;/h2-9,12-13H,10-11,14-15H2,1H3,(H,26,28);3-10,13,15H,11-12,14,16H2,1-2H3;3-10,13H,11-12,14-15H2,1-2H3;3-9,12-13H,10-11,14H2,1-2H3,(H,25,26,27);3-6,9,11-12H,7-8,10,13H2,1-2H3;1H.

What are the key properties of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,6-dimethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,6-dimethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2056.30 g/mol, XLogP of 20.84, 31 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,6-dimethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-5-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 160547818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).