2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide

C78H55ClF6N10O12 — CID 159278228

About 2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide

2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide (PubChem CID 159278228) has the molecular formula C78H55ClF6N10O12 and a molecular weight of 1479.83 g/mol. Its IUPAC name is 2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide
• PubChem CID: 159278228
• Molecular Formula: C78H55ClF6N10O12
• Molecular Weight: 1479.83 g/mol
• Exact Mass: 1478.40
• IUPAC Name: 2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide
• SMILES: Cc1cc2c(cc1-c1cnc(NC(=O)c3ccccc3)cn1)OC(F)(F)O2.[2H]C1([2H])Oc2cc(C)c(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)cc2O1.[2H]C1([2H])Oc2cc(C)c(-c3ccc(NC(=O)c4ccccc4Cl)nc3)cc2O1.[2H]C1([2H])Oc2cc(C)c(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)cc2O1
• InChI: InChI=1S/C20H15ClN2O3.C20H14F2N2O3.2C19H13F2N3O3/c1-12-8-17-18(26-11-25-17)9-15(12)13-6-7-19(22-10-13)23-20(24)14-4-2-3-5-16(14)21;1-11-7-16-17(27-10-26-16)8-13(11)12-5-6-18(23-9-12)24-20(25)19-14(21)3-2-4-15(19)22;1-10-5-15-16(27-9-26-15)6-11(10)14-7-23-17(8-22-14)24-19(25)18-12(20)3-2-4-13(18)21;1-11-7-15-16(27-19(20,21)26-15)8-13(11)14-9-23-17(10-22-14)24-18(25)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,22,23,24);2-9H,10H2,1H3,(H,23,24,25);2-8H,9H2,1H3,(H,23,24,25);2-10H,1H3,(H,23,24,25)/i11D2;10D2;9D2
• InChIKey: KYOUEGVTYPMLJM-XLPBNUIMSA-N
• XLogP: 16.74
• TPSA: 267.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1479.83
LogP ≤ 5	16.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide?

The IUPAC name of 2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide (CID 159278228) is 2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide.

What is the SMILES notation for 2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide?

The canonical SMILES for 2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide is Cc1cc2c(cc1-c1cnc(NC(=O)c3ccccc3)cn1)OC(F)(F)O2.[2H]C1([2H])Oc2cc(C)c(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)cc2O1.[2H]C1([2H])Oc2cc(C)c(-c3ccc(NC(=O)c4ccccc4Cl)nc3)cc2O1.[2H]C1([2H])Oc2cc(C)c(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)cc2O1.

What is the InChIKey of 2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide?

The InChIKey is KYOUEGVTYPMLJM-XLPBNUIMSA-N. The full InChI is InChI=1S/C20H15ClN2O3.C20H14F2N2O3.2C19H13F2N3O3/c1-12-8-17-18(26-11-25-17)9-15(12)13-6-7-19(22-10-13)23-20(24)14-4-2-3-5-16(14)21;1-11-7-16-17(27-10-26-16)8-13(11)12-5-6-18(23-9-12)24-20(25)19-14(21)3-2-4-15(19)22;1-10-5-15-16(27-9-26-15)6-11(10)14-7-23-17(8-22-14)24-19(25)18-12(20)3-2-4-13(18)21;1-11-7-15-16(27-19(20,21)26-15)8-13(11)14-9-23-17(10-22-14)24-18(25)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,22,23,24);2-9H,10H2,1H3,(H,23,24,25);2-8H,9H2,1H3,(H,23,24,25);2-10H,1H3,(H,23,24,25)/i11D2;10D2;9D2;.

What are the key properties of 2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide?

2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide has a molecular weight of 1479.83 g/mol, XLogP of 16.74, 12 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide is sourced from PubChem (CID 159278228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).