N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,5-dimethylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpyrrolidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]piperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]pyrrolidine-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide

C114H95Cl5F12N16O18 — CID 157343660

IUPACN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,5-dimethylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpyrrolidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]piperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]pyrrolidine-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide
SMILESCC1CC(C)CN(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)C1.CC1CCCN1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Cc1ccccc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1.Cc1ccccc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)N1CCCC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)N1CCCCC1
InChIInChI=1S/C21H16F2N2O3.C20H20ClF2N3O3.C20H13ClF2N2O3.2C18H16ClF2N3O3.C17H14ClF2N3O3/c1-12-5-3-4-6-15(12)20(26)25-19-8-7-14(11-24-19)16-10-18-17(9-13(16)2)27-21(22,23)28-18;1-11-5-12(2)10-26(9-11)19(27)25-18-4-3-13(8-24-18)14-6-16-17(7-15(14)21)29-20(22,23)28-16;1-11-4-2-3-5-13(11)19(26)25-18-7-6-12(10-24-18)14-8-16-17(9-15(14)21)28-20(22,23)27-16;1-10-3-2-6-24(10)17(25)23-16-5-4-11(9-22-16)12-7-14-15(8-13(12)19)27-18(20,21)26-14;19-13-9-15-14(26-18(20,21)27-15)8-12(13)11-4-5-16(22-10-11)23-17(25)24-6-2-1-3-7-24;18-12-8-14-13(25-17(19,20)26-14)7-11(12)10-3-4-15(21-9-10)22-16(24)23-5-1-2-6-23/h3-11H,1-2H3,(H,24,25,26);3-4,6-8,11-12H,5,9-10H2,1-2H3,(H,24,25,27);2-10H,1H3,(H,24,25,26);4-5,7-10H,2-3,6H2,1H3,(H,22,23,25);4-5,8-10H,1-3,6-7H2,(H,22,23,25);3-4,7-9H,1-2,5-6H2,(H,21,22,24)
InChIKeyBGRUDTXELJSJGZ-UHFFFAOYSA-N
MW2382.35 g/mol
LogP29.29
Rot. Bonds14

About N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,5-dimethylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpyrrolidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]piperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]pyrrolidine-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,5-dimethylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpyrrolidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]piperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]pyrrolidine-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide (PubChem CID 157343660) has the molecular formula C114H95Cl5F12N16O18 and a molecular weight of 2382.35 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,5-dimethylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpyrrolidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]piperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]pyrrolidine-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,5-dimethylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpyrrolidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]piperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]pyrrolidine-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide
PubChem CID157343660
Molecular FormulaC114H95Cl5F12N16O18
Molecular Weight2382.35 g/mol
Exact Mass2378.53
IUPAC NameN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,5-dimethylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpyrrolidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]piperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]pyrrolidine-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide
SMILESCC1CC(C)CN(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)C1.CC1CCCN1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Cc1ccccc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1.Cc1ccccc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)N1CCCC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)N1CCCCC1
InChIInChI=1S/C21H16F2N2O3.C20H20ClF2N3O3.C20H13ClF2N2O3.2C18H16ClF2N3O3.C17H14ClF2N3O3/c1-12-5-3-4-6-15(12)20(26)25-19-8-7-14(11-24-19)16-10-18-17(9-13(16)2)27-21(22,23)28-18;1-11-5-12(2)10-26(9-11)19(27)25-18-4-3-13(8-24-18)14-6-16-17(7-15(14)21)29-20(22,23)28-16;1-11-4-2-3-5-13(11)19(26)25-18-7-6-12(10-24-18)14-8-16-17(9-15(14)21)28-20(22,23)27-16;1-10-3-2-6-24(10)17(25)23-16-5-4-11(9-22-16)12-7-14-15(8-13(12)19)27-18(20,21)26-14;19-13-9-15-14(26-18(20,21)27-15)8-12(13)11-4-5-16(22-10-11)23-17(25)24-6-2-1-3-7-24;18-12-8-14-13(25-17(19,20)26-14)7-11(12)10-3-4-15(21-9-10)22-16(24)23-5-1-2-6-23/h3-11H,1-2H3,(H,24,25,26);3-4,6-8,11-12H,5,9-10H2,1-2H3,(H,24,25,27);2-10H,1H3,(H,24,25,26);4-5,7-10H,2-3,6H2,1H3,(H,22,23,25);4-5,8-10H,1-3,6-7H2,(H,22,23,25);3-4,7-9H,1-2,5-6H2,(H,21,22,24)
InChIKeyBGRUDTXELJSJGZ-UHFFFAOYSA-N
XLogP29.29
TPSA375.66 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002382.35
LogP ≤ 529.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,5-dimethylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpyrrolidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]piperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]pyrrolidine-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,5-dimethylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpyrrolidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]piperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]pyrrolidine-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide?
The IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,5-dimethylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpyrrolidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]piperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]pyrrolidine-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide (CID 157343660) is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,5-dimethylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpyrrolidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]piperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]pyrrolidine-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,5-dimethylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpyrrolidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]piperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]pyrrolidine-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide?
The canonical SMILES for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,5-dimethylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpyrrolidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]piperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]pyrrolidine-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide is CC1CC(C)CN(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)C1.CC1CCCN1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Cc1ccccc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1.Cc1ccccc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)N1CCCC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)N1CCCCC1.
What is the InChIKey of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,5-dimethylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpyrrolidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]piperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]pyrrolidine-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide?
The InChIKey is BGRUDTXELJSJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O3.C20H20ClF2N3O3.C20H13ClF2N2O3.2C18H16ClF2N3O3.C17H14ClF2N3O3/c1-12-5-3-4-6-15(12)20(26)25-19-8-7-14(11-24-19)16-10-18-17(9-13(16)2)27-21(22,23)28-18;1-11-5-12(2)10-26(9-11)19(27)25-18-4-3-13(8-24-18)14-6-16-17(7-15(14)21)29-20(22,23)28-16;1-11-4-2-3-5-13(11)19(26)25-18-7-6-12(10-24-18)14-8-16-17(9-15(14)21)28-20(22,23)27-16;1-10-3-2-6-24(10)17(25)23-16-5-4-11(9-22-16)12-7-14-15(8-13(12)19)27-18(20,21)26-14;19-13-9-15-14(26-18(20,21)27-15)8-12(13)11-4-5-16(22-10-11)23-17(25)24-6-2-1-3-7-24;18-12-8-14-13(25-17(19,20)26-14)7-11(12)10-3-4-15(21-9-10)22-16(24)23-5-1-2-6-23/h3-11H,1-2H3,(H,24,25,26);3-4,6-8,11-12H,5,9-10H2,1-2H3,(H,24,25,27);2-10H,1H3,(H,24,25,26);4-5,7-10H,2-3,6H2,1H3,(H,22,23,25);4-5,8-10H,1-3,6-7H2,(H,22,23,25);3-4,7-9H,1-2,5-6H2,(H,21,22,24).
What are the key properties of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,5-dimethylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpyrrolidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]piperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]pyrrolidine-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide?
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,5-dimethylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpyrrolidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]piperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]pyrrolidine-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide has a molecular weight of 2382.35 g/mol, XLogP of 29.29, 14 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3,5-dimethylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpyrrolidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]piperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]pyrrolidine-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 157343660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).