5-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine

C115H77Cl5F18N14O12 — CID 159824621

About 5-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine

5-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine (PubChem CID 159824621) has the molecular formula C115H77Cl5F18N14O12 and a molecular weight of 2366.20 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine
• PubChem CID: 159824621
• Molecular Formula: C115H77Cl5F18N14O12
• Molecular Weight: 2366.20 g/mol
• Exact Mass: 2362.40
• IUPAC Name: 5-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine
• SMILES: Cc1ccc(CNc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)cn1.Cc1cccc(C)c1CNc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Fc1cccc(F)c1CNc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Fc1cccc(F)c1CNc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Fc1cccc(F)c1CNc1ccc(-c2ccc3c(c2)OCO3)cn1.Fc1cccc(F)c1CNc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
• InChI: InChI=1S/C21H17ClF2N2O2.2C19H11ClF4N2O2.C19H14ClF2N3O2.C19H14F2N2O2.C18H10ClF4N3O2/c1-12-4-3-5-13(2)16(12)11-26-20-7-6-14(10-25-20)15-8-18-19(9-17(15)22)28-21(23,24)27-18;2*20-13-7-17-16(27-19(23,24)28-17)6-11(13)10-4-5-18(25-8-10)26-9-12-14(21)2-1-3-15(12)22;1-11-2-3-12(8-23-11)9-24-18-5-4-13(10-25-18)14-6-16-17(7-15(14)20)27-19(21,22)26-16;20-15-2-1-3-16(21)14(15)10-23-19-7-5-13(9-22-19)12-4-6-17-18(8-12)25-11-24-17;19-11-5-16-15(27-18(22,23)28-16)4-9(11)14-7-26-17(8-24-14)25-6-10-12(20)2-1-3-13(10)21/h3-10H,11H2,1-2H3,(H,25,26);2*1-8H,9H2,(H,25,26);2-8,10H,9H2,1H3,(H,24,25);1-9H,10-11H2,(H,22,23);1-5,7-8H,6H2,(H,25,26)
• InChIKey: NMRDMBPGXOLDIJ-UHFFFAOYSA-N
• XLogP: 31.60
• TPSA: 286.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2366.20
LogP ≤ 5	31.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine?

The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine (CID 159824621) is 5-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine.

What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine?

The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine is Cc1ccc(CNc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)cn1.Cc1cccc(C)c1CNc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Fc1cccc(F)c1CNc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Fc1cccc(F)c1CNc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Fc1cccc(F)c1CNc1ccc(-c2ccc3c(c2)OCO3)cn1.Fc1cccc(F)c1CNc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.

What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine?

The InChIKey is NMRDMBPGXOLDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N2O2.2C19H11ClF4N2O2.C19H14ClF2N3O2.C19H14F2N2O2.C18H10ClF4N3O2/c1-12-4-3-5-13(2)16(12)11-26-20-7-6-14(10-25-20)15-8-18-19(9-17(15)22)28-21(23,24)27-18;2*20-13-7-17-16(27-19(23,24)28-17)6-11(13)10-4-5-18(25-8-10)26-9-12-14(21)2-1-3-15(12)22;1-11-2-3-12(8-23-11)9-24-18-5-4-13(10-25-18)14-6-16-17(7-15(14)20)27-19(21,22)26-16;20-15-2-1-3-16(21)14(15)10-23-19-7-5-13(9-22-19)12-4-6-17-18(8-12)25-11-24-17;19-11-5-16-15(27-18(22,23)28-16)4-9(11)14-7-26-17(8-24-14)25-6-10-12(20)2-1-3-13(10)21/h3-10H,11H2,1-2H3,(H,25,26);2*1-8H,9H2,(H,25,26);2-8,10H,9H2,1H3,(H,24,25);1-9H,10-11H2,(H,22,23);1-5,7-8H,6H2,(H,25,26).

What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine?

5-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine has a molecular weight of 2366.20 g/mol, XLogP of 31.60, 24 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine is sourced from PubChem (CID 159824621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).