1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

C95H95ClN10O15S — CID 158245212

IUPAC1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(OC)cc4)CC3)n2)cc1.Cc1c(-c2ccc(C(N)=O)cc2)cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1C.Cc1cc(-c2ccc(Cl)cc2)cnc1NC(=O)C1(c2ccc3c(c2)OCO3)CC1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1ccc(CO)cc1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H23N3O4.C24H22N2O4.C23H19ClN2O3.C23H23N3O4S.4H2/c1-14-15(2)23(27-12-19(14)16-3-5-17(6-4-16)22(26)29)28-24(30)25(9-10-25)18-7-8-20-21(11-18)32-13-31-20;1-15-2-9-21(25-22(15)17-5-3-16(13-27)4-6-17)26-23(28)24(10-11-24)18-7-8-19-20(12-18)30-14-29-19;1-14-10-16(15-2-5-18(24)6-3-15)12-25-21(14)26-22(27)23(8-9-23)17-4-7-19-20(11-17)29-13-28-19;1-24-31(28,29)19-12-6-16(7-13-19)20-4-3-5-21(25-20)26-22(27)23(14-15-23)17-8-10-18(30-2)11-9-17;;;;/h3-8,11-12H,9-10,13H2,1-2H3,(H2,26,29)(H,27,28,30);2-9,12,27H,10-11,13-14H2,1H3,(H,25,26,28);2-7,10-12H,8-9,13H2,1H3,(H,25,26,27);3-13,24H,14-15H2,1-2H3,(H,25,26,27);4*1H
InChIKeyGGAODZSYZZXBOA-UHFFFAOYSA-N
MW1684.38 g/mol
LogP17.24
Rot. Bonds21

About 1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 158245212) has the molecular formula C95H95ClN10O15S and a molecular weight of 1684.38 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID158245212
Molecular FormulaC95H95ClN10O15S
Molecular Weight1684.38 g/mol
Exact Mass1682.64
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(OC)cc4)CC3)n2)cc1.Cc1c(-c2ccc(C(N)=O)cc2)cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1C.Cc1cc(-c2ccc(Cl)cc2)cnc1NC(=O)C1(c2ccc3c(c2)OCO3)CC1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1ccc(CO)cc1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H23N3O4.C24H22N2O4.C23H19ClN2O3.C23H23N3O4S.4H2/c1-14-15(2)23(27-12-19(14)16-3-5-17(6-4-16)22(26)29)28-24(30)25(9-10-25)18-7-8-20-21(11-18)32-13-31-20;1-15-2-9-21(25-22(15)17-5-3-16(13-27)4-6-17)26-23(28)24(10-11-24)18-7-8-19-20(12-18)30-14-29-19;1-14-10-16(15-2-5-18(24)6-3-15)12-25-21(14)26-22(27)23(8-9-23)17-4-7-19-20(11-17)29-13-28-19;1-24-31(28,29)19-12-6-16(7-13-19)20-4-3-5-21(25-20)26-22(27)23(14-15-23)17-8-10-18(30-2)11-9-17;;;;/h3-8,11-12H,9-10,13H2,1-2H3,(H2,26,29)(H,27,28,30);2-9,12,27H,10-11,13-14H2,1H3,(H,25,26,28);2-7,10-12H,8-9,13H2,1H3,(H,25,26,27);3-13,24H,14-15H2,1-2H3,(H,25,26,27);4*1H
InChIKeyGGAODZSYZZXBOA-UHFFFAOYSA-N
XLogP17.24
TPSA342.06 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001684.38
LogP ≤ 517.24
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Analyze 1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 158245212) is 1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(OC)cc4)CC3)n2)cc1.Cc1c(-c2ccc(C(N)=O)cc2)cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1C.Cc1cc(-c2ccc(Cl)cc2)cnc1NC(=O)C1(c2ccc3c(c2)OCO3)CC1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1ccc(CO)cc1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is GGAODZSYZZXBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4.C24H22N2O4.C23H19ClN2O3.C23H23N3O4S.4H2/c1-14-15(2)23(27-12-19(14)16-3-5-17(6-4-16)22(26)29)28-24(30)25(9-10-25)18-7-8-20-21(11-18)32-13-31-20;1-15-2-9-21(25-22(15)17-5-3-16(13-27)4-6-17)26-23(28)24(10-11-24)18-7-8-19-20(12-18)30-14-29-19;1-14-10-16(15-2-5-18(24)6-3-15)12-25-21(14)26-22(27)23(8-9-23)17-4-7-19-20(11-17)29-13-28-19;1-24-31(28,29)19-12-6-16(7-13-19)20-4-3-5-21(25-20)26-22(27)23(14-15-23)17-8-10-18(30-2)11-9-17;;;;/h3-8,11-12H,9-10,13H2,1-2H3,(H2,26,29)(H,27,28,30);2-9,12,27H,10-11,13-14H2,1H3,(H,25,26,28);2-7,10-12H,8-9,13H2,1H3,(H,25,26,27);3-13,24H,14-15H2,1-2H3,(H,25,26,27);4*1H.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 1684.38 g/mol, XLogP of 17.24, 21 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[5-(4-chlorophenyl)-3-methyl-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 158245212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).