1-(1,3-benzodioxol-5-yl)-N-[6-(cyclohexen-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-chloro-4-pyridinyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-[6-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

C92H83ClN8O12 — CID 158508400

IUPAC1-(1,3-benzodioxol-5-yl)-N-[6-(cyclohexen-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-chloro-4-pyridinyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-[6-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCc1ccccc1-c1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1.O=C(Cc1ccc(-c2ccncc2Cl)cn1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Nc1cccc(-c2ccc3[nH]ccc3c2)n1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Nc1cccc(C2=CCCCC2)n1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H]
InChIInChI=1S/C24H19N3O3.C24H21NO3.C22H17ClN2O3.C22H22N2O3.2H2/c28-23(24(9-10-24)17-5-7-20-21(13-17)30-14-29-20)27-22-3-1-2-19(26-22)15-4-6-18-16(12-15)8-11-25-18;1-16-4-2-3-5-20(16)17-6-8-19(25-14-17)13-23(26)24(10-11-24)18-7-9-21-22(12-18)28-15-27-21;23-18-12-24-8-5-17(18)14-1-3-16(25-11-14)10-21(26)22(6-7-22)15-2-4-19-20(9-15)28-13-27-19;25-21(22(11-12-22)16-9-10-18-19(13-16)27-14-26-18)24-20-8-4-7-17(23-20)15-5-2-1-3-6-15;;/h1-8,11-13,25H,9-10,14H2,(H,26,27,28);2-9,12,14H,10-11,13,15H2,1H3;1-5,8-9,11-12H,6-7,10,13H2;4-5,7-10,13H,1-3,6,11-12,14H2,(H,23,24,25);2*1H
InChIKeyHKTAASPJESPBHT-UHFFFAOYSA-N
MW1528.17 g/mol
LogP18.56
Rot. Bonds18

About 1-(1,3-benzodioxol-5-yl)-N-[6-(cyclohexen-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-chloro-4-pyridinyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-[6-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[6-(cyclohexen-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-chloro-4-pyridinyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-[6-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 158508400) has the molecular formula C92H83ClN8O12 and a molecular weight of 1528.17 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[6-(cyclohexen-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-chloro-4-pyridinyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-[6-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[6-(cyclohexen-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-chloro-4-pyridinyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-[6-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID158508400
Molecular FormulaC92H83ClN8O12
Molecular Weight1528.17 g/mol
Exact Mass1526.58
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[6-(cyclohexen-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-chloro-4-pyridinyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-[6-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCc1ccccc1-c1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1.O=C(Cc1ccc(-c2ccncc2Cl)cn1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Nc1cccc(-c2ccc3[nH]ccc3c2)n1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Nc1cccc(C2=CCCCC2)n1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H]
InChIInChI=1S/C24H19N3O3.C24H21NO3.C22H17ClN2O3.C22H22N2O3.2H2/c28-23(24(9-10-24)17-5-7-20-21(13-17)30-14-29-20)27-22-3-1-2-19(26-22)15-4-6-18-16(12-15)8-11-25-18;1-16-4-2-3-5-20(16)17-6-8-19(25-14-17)13-23(26)24(10-11-24)18-7-9-21-22(12-18)28-15-27-21;23-18-12-24-8-5-17(18)14-1-3-16(25-11-14)10-21(26)22(6-7-22)15-2-4-19-20(9-15)28-13-27-19;25-21(22(11-12-22)16-9-10-18-19(13-16)27-14-26-18)24-20-8-4-7-17(23-20)15-5-2-1-3-6-15;;/h1-8,11-13,25H,9-10,14H2,(H,26,27,28);2-9,12,14H,10-11,13,15H2,1H3;1-5,8-9,11-12H,6-7,10,13H2;4-5,7-10,13H,1-3,6,11-12,14H2,(H,23,24,25);2*1H
InChIKeyHKTAASPJESPBHT-UHFFFAOYSA-N
XLogP18.56
TPSA246.42 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001528.17
LogP ≤ 518.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 1-(1,3-benzodioxol-5-yl)-N-[6-(cyclohexen-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-chloro-4-pyridinyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-[6-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-(cyclohexen-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-chloro-4-pyridinyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-[6-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-(cyclohexen-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-chloro-4-pyridinyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-[6-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 158508400) is 1-(1,3-benzodioxol-5-yl)-N-[6-(cyclohexen-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-chloro-4-pyridinyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-[6-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[6-(cyclohexen-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-chloro-4-pyridinyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-[6-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[6-(cyclohexen-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-chloro-4-pyridinyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-[6-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is Cc1ccccc1-c1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1.O=C(Cc1ccc(-c2ccncc2Cl)cn1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Nc1cccc(-c2ccc3[nH]ccc3c2)n1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Nc1cccc(C2=CCCCC2)n1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[6-(cyclohexen-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-chloro-4-pyridinyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-[6-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is HKTAASPJESPBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3.C24H21NO3.C22H17ClN2O3.C22H22N2O3.2H2/c28-23(24(9-10-24)17-5-7-20-21(13-17)30-14-29-20)27-22-3-1-2-19(26-22)15-4-6-18-16(12-15)8-11-25-18;1-16-4-2-3-5-20(16)17-6-8-19(25-14-17)13-23(26)24(10-11-24)18-7-9-21-22(12-18)28-15-27-21;23-18-12-24-8-5-17(18)14-1-3-16(25-11-14)10-21(26)22(6-7-22)15-2-4-19-20(9-15)28-13-27-19;25-21(22(11-12-22)16-9-10-18-19(13-16)27-14-26-18)24-20-8-4-7-17(23-20)15-5-2-1-3-6-15;;/h1-8,11-13,25H,9-10,14H2,(H,26,27,28);2-9,12,14H,10-11,13,15H2,1H3;1-5,8-9,11-12H,6-7,10,13H2;4-5,7-10,13H,1-3,6,11-12,14H2,(H,23,24,25);2*1H.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[6-(cyclohexen-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-chloro-4-pyridinyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-[6-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
1-(1,3-benzodioxol-5-yl)-N-[6-(cyclohexen-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-chloro-4-pyridinyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-[6-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 1528.17 g/mol, XLogP of 18.56, 18 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[6-(cyclohexen-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3-chloro-4-pyridinyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;1-(1,3-benzodioxol-5-yl)-N-[6-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 158508400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).