N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide

C40H26F8N4O5 — CID 158437979

IUPACN-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)O2.[2H]C([2H])(Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1)c1c(F)cccc1F
InChIInChI=1S/C20H12F4N2O3.C20H14F4N2O2/c1-10-7-15-16(29-20(23,24)28-15)8-12(10)11-5-6-17(25-9-11)26-19(27)18-13(21)3-2-4-14(18)22;1-11-7-17-18(28-20(23,24)27-17)8-13(11)12-5-6-19(25-9-12)26-10-14-15(21)3-2-4-16(14)22/h2-9H,1H3,(H,25,26,27);2-9H,10H2,1H3,(H,25,26)/i;10D2
InChIKeyHCLRSARKOBSNBJ-MXCKFYTFSA-N
MW796.67 g/mol
LogP10.18
Rot. Bonds7

About N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide

N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide (PubChem CID 158437979) has the molecular formula C40H26F8N4O5 and a molecular weight of 796.67 g/mol. Its IUPAC name is N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
PubChem CID158437979
Molecular FormulaC40H26F8N4O5
Molecular Weight796.67 g/mol
Exact Mass796.19
IUPAC NameN-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)O2.[2H]C([2H])(Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1)c1c(F)cccc1F
InChIInChI=1S/C20H12F4N2O3.C20H14F4N2O2/c1-10-7-15-16(29-20(23,24)28-15)8-12(10)11-5-6-17(25-9-11)26-19(27)18-13(21)3-2-4-14(18)22;1-11-7-17-18(28-20(23,24)27-17)8-13(11)12-5-6-19(25-9-12)26-10-14-15(21)3-2-4-16(14)22/h2-9H,1H3,(H,25,26,27);2-9H,10H2,1H3,(H,25,26)/i;10D2
InChIKeyHCLRSARKOBSNBJ-MXCKFYTFSA-N
XLogP10.18
TPSA103.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.67
LogP ≤ 510.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide with MolForge

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Related Compounds

N-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-2-pyridinyl]-2-phenylacetamide
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5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
CID 71086602
5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2-methylphenyl)methyl]pyridin-2-amine
CID 71105452
5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine
CID 71105454
5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,4,6-trifluorophenyl)methyl]pyridin-2-amine
CID 71105456
5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,3,6-trifluorophenyl)methyl]pyridin-2-amine
CID 71105460
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CID 126718891
N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)-5-pyridin-3-ylpyridine-3-carboxamide
CID 44530423
1-(1,3-Benzodioxol-5-ylmethylamino)isoquinoline-5-carboxamide
CID 164611759
2-(1,3-benzodioxol-5-ylmethylamino)-N-(oxan-4-ylmethyl)-5-pyridin-3-ylpyridine-3-carboxamide
CID 172435679
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Frequently Asked Questions

What is the IUPAC name of N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide?
The IUPAC name of N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide (CID 158437979) is N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide is Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)O2.[2H]C([2H])(Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1)c1c(F)cccc1F.
What is the InChIKey of N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide?
The InChIKey is HCLRSARKOBSNBJ-MXCKFYTFSA-N. The full InChI is InChI=1S/C20H12F4N2O3.C20H14F4N2O2/c1-10-7-15-16(29-20(23,24)28-15)8-12(10)11-5-6-17(25-9-11)26-19(27)18-13(21)3-2-4-14(18)22;1-11-7-17-18(28-20(23,24)27-17)8-13(11)12-5-6-19(25-9-12)26-10-14-15(21)3-2-4-16(14)22/h2-9H,1H3,(H,25,26,27);2-9H,10H2,1H3,(H,25,26)/i;10D2.
What are the key properties of N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide?
N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide has a molecular weight of 796.67 g/mol, XLogP of 10.18, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide is sourced from PubChem (CID 158437979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).