1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(dimethylsulfamoyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(2-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(3-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

C168H159Cl2N17O27S3 — CID 161235590

IUPAC1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(dimethylsulfamoyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(2-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(3-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCNS(=O)(=O)c1ccc(-c2cnc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(C)c2)cc1.Cc1c(-c2ccc(Cl)cc2)cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1C.Cc1cc(-c2cccc(S(N)(=O)=O)c2)cnc1NC(=O)C1(c2ccc3c(c2)OCO3)CC1.Cc1cc(-c2ccccc2C(C)C)cnc1NC(=O)C1(c2ccc3c(c2)OCO3)CC1.Cc1cc(-c2ccccc2Cl)cnc1NC(=O)C1(c2ccc3c(c2)OCO3)CC1.Cc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ncc1-c1cccc(S(=O)(=O)N(C)C)c1.Cc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ncc1-c1ccccc1.[H][H].[H][H]
InChIInChI=1S/C26H26N2O3.C25H25N3O5S.C24H21ClN2O3.C24H23N3O5S.C23H19ClN2O3.C23H21N3O5S.C23H20N2O3.2H2/c1-16(2)20-6-4-5-7-21(20)18-12-17(3)24(27-14-18)28-25(29)26(10-11-26)19-8-9-22-23(13-19)31-15-30-22;1-16-11-23(26-14-20(16)17-5-4-6-19(12-17)34(30,31)28(2)3)27-24(29)25(9-10-25)18-7-8-21-22(13-18)33-15-32-21;1-14-15(2)22(26-12-19(14)16-3-6-18(25)7-4-16)27-23(28)24(9-10-24)17-5-8-20-21(11-17)30-13-29-20;1-15-11-17(16-3-6-19(7-4-16)33(29,30)25-2)13-26-22(15)27-23(28)24(9-10-24)18-5-8-20-21(12-18)32-14-31-20;1-14-10-15(17-4-2-3-5-18(17)24)12-25-21(14)26-22(27)23(8-9-23)16-6-7-19-20(11-16)29-13-28-19;1-14-9-16(15-3-2-4-18(10-15)32(24,28)29)12-25-21(14)26-22(27)23(7-8-23)17-5-6-19-20(11-17)31-13-30-19;1-15-11-21(24-13-18(15)16-5-3-2-4-6-16)25-22(26)23(9-10-23)17-7-8-19-20(12-17)28-14-27-19;;/h4-9,12-14,16H,10-11,15H2,1-3H3,(H,27,28,29);4-8,11-14H,9-10,15H2,1-3H3,(H,26,27,29);3-8,11-12H,9-10,13H2,1-2H3,(H,26,27,28);3-8,11-13,25H,9-10,14H2,1-2H3,(H,26,27,28);2-7,10-12H,8-9,13H2,1H3,(H,25,26,27);2-6,9-12H,7-8,13H2,1H3,(H2,24,28,29)(H,25,26,27);2-8,11-13H,9-10,14H2,1H3,(H,24,25,26);2*1H
InChIKeyUZIBEVMSPVJYGG-UHFFFAOYSA-N
MW3015.32 g/mol
LogP31.23
Rot. Bonds34

About 1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(dimethylsulfamoyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(2-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(3-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(dimethylsulfamoyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(2-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(3-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 161235590) has the molecular formula C168H159Cl2N17O27S3 and a molecular weight of 3015.32 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(dimethylsulfamoyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(2-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(3-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(dimethylsulfamoyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(2-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(3-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID161235590
Molecular FormulaC168H159Cl2N17O27S3
Molecular Weight3015.32 g/mol
Exact Mass3012.01
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(dimethylsulfamoyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(2-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(3-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCNS(=O)(=O)c1ccc(-c2cnc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(C)c2)cc1.Cc1c(-c2ccc(Cl)cc2)cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1C.Cc1cc(-c2cccc(S(N)(=O)=O)c2)cnc1NC(=O)C1(c2ccc3c(c2)OCO3)CC1.Cc1cc(-c2ccccc2C(C)C)cnc1NC(=O)C1(c2ccc3c(c2)OCO3)CC1.Cc1cc(-c2ccccc2Cl)cnc1NC(=O)C1(c2ccc3c(c2)OCO3)CC1.Cc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ncc1-c1cccc(S(=O)(=O)N(C)C)c1.Cc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ncc1-c1ccccc1.[H][H].[H][H]
InChIInChI=1S/C26H26N2O3.C25H25N3O5S.C24H21ClN2O3.C24H23N3O5S.C23H19ClN2O3.C23H21N3O5S.C23H20N2O3.2H2/c1-16(2)20-6-4-5-7-21(20)18-12-17(3)24(27-14-18)28-25(29)26(10-11-26)19-8-9-22-23(13-19)31-15-30-22;1-16-11-23(26-14-20(16)17-5-4-6-19(12-17)34(30,31)28(2)3)27-24(29)25(9-10-25)18-7-8-21-22(13-18)33-15-32-21;1-14-15(2)22(26-12-19(14)16-3-6-18(25)7-4-16)27-23(28)24(9-10-24)17-5-8-20-21(11-17)30-13-29-20;1-15-11-17(16-3-6-19(7-4-16)33(29,30)25-2)13-26-22(15)27-23(28)24(9-10-24)18-5-8-20-21(12-18)32-14-31-20;1-14-10-15(17-4-2-3-5-18(17)24)12-25-21(14)26-22(27)23(8-9-23)16-6-7-19-20(11-16)29-13-28-19;1-14-9-16(15-3-2-4-18(10-15)32(24,28)29)12-25-21(14)26-22(27)23(7-8-23)17-5-6-19-20(11-17)31-13-30-19;1-15-11-21(24-13-18(15)16-5-3-2-4-6-16)25-22(26)23(9-10-23)17-7-8-19-20(12-17)28-14-27-19;;/h4-9,12-14,16H,10-11,15H2,1-3H3,(H,27,28,29);4-8,11-14H,9-10,15H2,1-3H3,(H,26,27,29);3-8,11-12H,9-10,13H2,1-2H3,(H,26,27,28);3-8,11-13,25H,9-10,14H2,1-2H3,(H,26,27,28);2-7,10-12H,8-9,13H2,1H3,(H,25,26,27);2-6,9-12H,7-8,13H2,1H3,(H2,24,28,29)(H,25,26,27);2-8,11-13H,9-10,14H2,1H3,(H,24,25,26);2*1H
InChIKeyUZIBEVMSPVJYGG-UHFFFAOYSA-N
XLogP31.23
TPSA566.86 Ų
H-Bond Donors9
H-Bond Acceptors34
Rotatable Bonds34
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003015.32
LogP ≤ 531.23
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1034

Analyze 1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(dimethylsulfamoyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(2-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(3-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen with MolForge

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[5-[3-(dimethylsulfamoyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide
CID 59166188
N-[5-[4-(aminomethyl)phenyl]-3,4-dimethyl-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 157237884
1-(1,3-benzodioxol-5-yl)-N-[2-methyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 161083275
1-(1,3-benzodioxol-5-yl)-N-[5-[4-[dihydroxy(methylamino)-λ4-sulfanyl]phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(6-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 158039797
1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 59166054
1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159596366
3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N,N-dimethylbenzamide
CID 59166187
3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-methyl-3-pyridinyl]-N-methylbenzamide
CID 59166319
1-(1,3-benzodioxol-5-yl)-N-[5-[3-[dimethylamino(dihydroxy)-λ4-sulfanyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 59272539
1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide
CID 59166240
1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-[3-(methylaminomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 129055768
1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(4-methylsulfinamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 59344841

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(dimethylsulfamoyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(2-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(3-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(dimethylsulfamoyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(2-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(3-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 161235590) is 1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(dimethylsulfamoyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(2-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(3-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(dimethylsulfamoyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(2-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(3-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(dimethylsulfamoyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(2-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(3-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is CNS(=O)(=O)c1ccc(-c2cnc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(C)c2)cc1.Cc1c(-c2ccc(Cl)cc2)cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1C.Cc1cc(-c2cccc(S(N)(=O)=O)c2)cnc1NC(=O)C1(c2ccc3c(c2)OCO3)CC1.Cc1cc(-c2ccccc2C(C)C)cnc1NC(=O)C1(c2ccc3c(c2)OCO3)CC1.Cc1cc(-c2ccccc2Cl)cnc1NC(=O)C1(c2ccc3c(c2)OCO3)CC1.Cc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ncc1-c1cccc(S(=O)(=O)N(C)C)c1.Cc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ncc1-c1ccccc1.[H][H].[H][H].
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(dimethylsulfamoyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(2-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(3-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is UZIBEVMSPVJYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3.C25H25N3O5S.C24H21ClN2O3.C24H23N3O5S.C23H19ClN2O3.C23H21N3O5S.C23H20N2O3.2H2/c1-16(2)20-6-4-5-7-21(20)18-12-17(3)24(27-14-18)28-25(29)26(10-11-26)19-8-9-22-23(13-19)31-15-30-22;1-16-11-23(26-14-20(16)17-5-4-6-19(12-17)34(30,31)28(2)3)27-24(29)25(9-10-25)18-7-8-21-22(13-18)33-15-32-21;1-14-15(2)22(26-12-19(14)16-3-6-18(25)7-4-16)27-23(28)24(9-10-24)17-5-8-20-21(11-17)30-13-29-20;1-15-11-17(16-3-6-19(7-4-16)33(29,30)25-2)13-26-22(15)27-23(28)24(9-10-24)18-5-8-20-21(12-18)32-14-31-20;1-14-10-15(17-4-2-3-5-18(17)24)12-25-21(14)26-22(27)23(8-9-23)16-6-7-19-20(11-16)29-13-28-19;1-14-9-16(15-3-2-4-18(10-15)32(24,28)29)12-25-21(14)26-22(27)23(7-8-23)17-5-6-19-20(11-17)31-13-30-19;1-15-11-21(24-13-18(15)16-5-3-2-4-6-16)25-22(26)23(9-10-23)17-7-8-19-20(12-17)28-14-27-19;;/h4-9,12-14,16H,10-11,15H2,1-3H3,(H,27,28,29);4-8,11-14H,9-10,15H2,1-3H3,(H,26,27,29);3-8,11-12H,9-10,13H2,1-2H3,(H,26,27,28);3-8,11-13,25H,9-10,14H2,1-2H3,(H,26,27,28);2-7,10-12H,8-9,13H2,1H3,(H,25,26,27);2-6,9-12H,7-8,13H2,1H3,(H2,24,28,29)(H,25,26,27);2-8,11-13H,9-10,14H2,1H3,(H,24,25,26);2*1H.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(dimethylsulfamoyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(2-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(3-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(dimethylsulfamoyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(2-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(3-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 3015.32 g/mol, XLogP of 31.23, 34 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(dimethylsulfamoyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(2-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(3-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 161235590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).