1-[4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]phenyl]sulfonylpiperidine-3-carboxamide;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-methoxyphenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen

C128H137N13O22S2 — CID 157062091

About 1-[4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]phenyl]sulfonylpiperidine-3-carboxamide;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-methoxyphenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen

1-[4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]phenyl]sulfonylpiperidine-3-carboxamide;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-methoxyphenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 157062091) has the molecular formula C128H137N13O22S2 and a molecular weight of 2273.71 g/mol. Its IUPAC name is 1-[4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]phenyl]sulfonylpiperidine-3-carboxamide;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-methoxyphenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]phenyl]sulfonylpiperidine-3-carboxamide;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-methoxyphenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 157062091
• Molecular Formula: C128H137N13O22S2
• Molecular Weight: 2273.71 g/mol
• Exact Mass: 2271.94
• IUPAC Name: 1-[4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]phenyl]sulfonylpiperidine-3-carboxamide;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-methoxyphenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: COc1ccccc1-c1cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c(C)c1C.COc1ccccc1C1(C(=O)Nc2cccc(-c3ccc(S(=O)(=O)N4CCC[C@@H]4CO)cc3)n2)CC1.Cc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ncc1-c1ccccc1CO.Cc1ccccc1-c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1C.NC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cccc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)n3)cc2)C1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C28H28N4O6S.C27H29N3O5S.C25H24N2O4.C24H22N2O4.C24H22N2O3.6H2/c29-26(33)19-3-2-14-32(16-19)39(35,36)21-9-6-18(7-10-21)22-4-1-5-25(30-22)31-27(34)28(12-13-28)20-8-11-23-24(15-20)38-17-37-23;1-35-24-9-3-2-7-22(24)27(15-16-27)26(32)29-25-10-4-8-23(28-25)19-11-13-21(14-12-19)36(33,34)30-17-5-6-20(30)18-31;1-15-16(2)23(26-13-19(15)18-6-4-5-7-20(18)29-3)27-24(28)25(10-11-25)17-8-9-21-22(12-17)31-14-30-21;1-15-10-22(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;1-15-5-3-4-6-18(15)19-8-10-22(25-16(19)2)26-23(27)24(11-12-24)17-7-9-20-21(13-17)29-14-28-20;;;;;;/h1,4-11,15,19H,2-3,12-14,16-17H2,(H2,29,33)(H,30,31,34);2-4,7-14,20,31H,5-6,15-18H2,1H3,(H,28,29,32);4-9,12-13H,10-11,14H2,1-3H3,(H,26,27,28);2-7,10-12,27H,8-9,13-14H2,1H3,(H,25,26,28);3-10,13H,11-12,14H2,1-2H3,(H,25,26,27);6*1H/t;20-;;;;;;;;;/m.1........./s1
• InChIKey: ABLHNGGOLZMNJY-XVHNDFHXSA-N
• XLogP: 21.57
• TPSA: 460.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 29
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2273.71
LogP ≤ 5	21.57
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]phenyl]sulfonylpiperidine-3-carboxamide;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-methoxyphenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 1-[4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]phenyl]sulfonylpiperidine-3-carboxamide;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-methoxyphenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen (CID 157062091) is 1-[4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]phenyl]sulfonylpiperidine-3-carboxamide;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-methoxyphenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 1-[4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]phenyl]sulfonylpiperidine-3-carboxamide;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-methoxyphenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 1-[4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]phenyl]sulfonylpiperidine-3-carboxamide;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-methoxyphenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen is COc1ccccc1-c1cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c(C)c1C.COc1ccccc1C1(C(=O)Nc2cccc(-c3ccc(S(=O)(=O)N4CCC[C@@H]4CO)cc3)n2)CC1.Cc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ncc1-c1ccccc1CO.Cc1ccccc1-c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1C.NC(=O)C1CCCN(S(=O)(=O)c2ccc(-c3cccc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)n3)cc2)C1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 1-[4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]phenyl]sulfonylpiperidine-3-carboxamide;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-methoxyphenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is ABLHNGGOLZMNJY-XVHNDFHXSA-N. The full InChI is InChI=1S/C28H28N4O6S.C27H29N3O5S.C25H24N2O4.C24H22N2O4.C24H22N2O3.6H2/c29-26(33)19-3-2-14-32(16-19)39(35,36)21-9-6-18(7-10-21)22-4-1-5-25(30-22)31-27(34)28(12-13-28)20-8-11-23-24(15-20)38-17-37-23;1-35-24-9-3-2-7-22(24)27(15-16-27)26(32)29-25-10-4-8-23(28-25)19-11-13-21(14-12-19)36(33,34)30-17-5-6-20(30)18-31;1-15-16(2)23(26-13-19(15)18-6-4-5-7-20(18)29-3)27-24(28)25(10-11-25)17-8-9-21-22(12-17)31-14-30-21;1-15-10-22(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;1-15-5-3-4-6-18(15)19-8-10-22(25-16(19)2)26-23(27)24(11-12-24)17-7-9-20-21(13-17)29-14-28-20;;;;;;/h1,4-11,15,19H,2-3,12-14,16-17H2,(H2,29,33)(H,30,31,34);2-4,7-14,20,31H,5-6,15-18H2,1H3,(H,28,29,32);4-9,12-13H,10-11,14H2,1-3H3,(H,26,27,28);2-7,10-12,27H,8-9,13-14H2,1H3,(H,25,26,28);3-10,13H,11-12,14H2,1-2H3,(H,25,26,27);6*1H/t;20-;;;;;;;;;/m.1........./s1.

What are the key properties of 1-[4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]phenyl]sulfonylpiperidine-3-carboxamide;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-methoxyphenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

1-[4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]phenyl]sulfonylpiperidine-3-carboxamide;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-methoxyphenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2273.71 g/mol, XLogP of 21.57, 29 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]phenyl]sulfonylpiperidine-3-carboxamide;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-methoxyphenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 157062091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).