N-[6-[4-(aminomethyl)phenyl]-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

C122H113N9O18 — CID 157435264

About N-[6-[4-(aminomethyl)phenyl]-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

N-[6-[4-(aminomethyl)phenyl]-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 157435264) has the molecular formula C122H113N9O18 and a molecular weight of 1993.29 g/mol. Its IUPAC name is N-[6-[4-(aminomethyl)phenyl]-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[6-[4-(aminomethyl)phenyl]-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 157435264
• Molecular Formula: C122H113N9O18
• Molecular Weight: 1993.29 g/mol
• Exact Mass: 1991.82
• IUPAC Name: N-[6-[4-(aminomethyl)phenyl]-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CN(C)C(=O)c1ccc(-c2cccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.COc1ccccc1-c1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1.Cc1cc(C)c(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)c(C)c1.NCc1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.O=C(Cc1ccc(-c2cccc(CO)c2)cn1)C1(c2ccc3c(c2)OCO3)CC1.[H][H]
• InChI: InChI=1S/C26H24N2O4.C25H24N2O3.2C24H21NO4.C23H21N3O3.H2/c1-28(2)25(30)18-8-6-17(7-9-18)21-5-3-4-20(27-21)15-24(29)26(12-13-26)19-10-11-22-23(14-19)32-16-31-22;1-15-11-16(2)23(17(3)12-15)19-5-4-6-22(26-19)27-24(28)25(9-10-25)18-7-8-20-21(13-18)30-14-29-20;1-27-20-5-3-2-4-19(20)16-6-8-18(25-14-16)13-23(26)24(10-11-24)17-7-9-21-22(12-17)29-15-28-21;26-14-16-2-1-3-17(10-16)18-4-6-20(25-13-18)12-23(27)24(8-9-24)19-5-7-21-22(11-19)29-15-28-21;24-13-15-4-6-16(7-5-15)18-2-1-3-21(25-18)26-22(27)23(10-11-23)17-8-9-19-20(12-17)29-14-28-19;/h3-11,14H,12-13,15-16H2,1-2H3;4-8,11-13H,9-10,14H2,1-3H3,(H,26,27,28);2-9,12,14H,10-11,13,15H2,1H3;1-7,10-11,13,26H,8-9,12,14-15H2;1-9,12H,10-11,13-14,24H2,(H,25,26,27);1H
• InChIKey: BRAFSWQKFOYNJW-UHFFFAOYSA-N
• XLogP: 21.09
• TPSA: 341.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1993.29
LogP ≤ 5	21.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(aminomethyl)phenyl]-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of N-[6-[4-(aminomethyl)phenyl]-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 157435264) is N-[6-[4-(aminomethyl)phenyl]-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[6-[4-(aminomethyl)phenyl]-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for N-[6-[4-(aminomethyl)phenyl]-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is CN(C)C(=O)c1ccc(-c2cccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.COc1ccccc1-c1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1.Cc1cc(C)c(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)c(C)c1.NCc1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.O=C(Cc1ccc(-c2cccc(CO)c2)cn1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].

What is the InChIKey of N-[6-[4-(aminomethyl)phenyl]-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is BRAFSWQKFOYNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4.C25H24N2O3.2C24H21NO4.C23H21N3O3.H2/c1-28(2)25(30)18-8-6-17(7-9-18)21-5-3-4-20(27-21)15-24(29)26(12-13-26)19-10-11-22-23(14-19)32-16-31-22;1-15-11-16(2)23(17(3)12-15)19-5-4-6-22(26-19)27-24(28)25(9-10-25)18-7-8-20-21(13-18)30-14-29-20;1-27-20-5-3-2-4-19(20)16-6-8-18(25-14-16)13-23(26)24(10-11-24)17-7-9-21-22(12-17)29-15-28-21;26-14-16-2-1-3-17(10-16)18-4-6-20(25-13-18)12-23(27)24(8-9-24)19-5-7-21-22(11-19)29-15-28-21;24-13-15-4-6-16(7-5-15)18-2-1-3-21(25-18)26-22(27)23(10-11-23)17-8-9-19-20(12-17)29-14-28-19;/h3-11,14H,12-13,15-16H2,1-2H3;4-8,11-13H,9-10,14H2,1-3H3,(H,26,27,28);2-9,12,14H,10-11,13,15H2,1H3;1-7,10-11,13,26H,8-9,12,14-15H2;1-9,12H,10-11,13-14,24H2,(H,25,26,27);1H.

What are the key properties of N-[6-[4-(aminomethyl)phenyl]-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

N-[6-[4-(aminomethyl)phenyl]-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 1993.29 g/mol, XLogP of 21.09, 27 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-(aminomethyl)phenyl]-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 157435264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).