N-[5-(6-cyano-2,2-difluoro-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]-4-methylbenzamide

C40H24F6N6O6 — CID 157087936

IUPACN-[5-(6-cyano-2,2-difluoro-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]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cnc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)cc1.N#Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)O2
InChIInChI=1S/C20H9F4N3O3.C20H15F2N3O3/c21-13-2-1-3-14(22)18(13)19(28)27-17-5-4-10(9-26-17)12-7-16-15(6-11(12)8-25)29-20(23,24)30-16;1-11-3-5-13(6-4-11)19(26)25-18-10-23-15(9-24-18)14-8-17-16(7-12(14)2)27-20(21,22)28-17/h1-7,9H,(H,26,27,28);3-10H,1-2H3,(H,24,25,26)
InChIKeyAEHRJQWKFCFIGD-UHFFFAOYSA-N
MW798.66 g/mol
LogP8.81
Rot. Bonds6

About N-[5-(6-cyano-2,2-difluoro-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]-4-methylbenzamide

N-[5-(6-cyano-2,2-difluoro-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]-4-methylbenzamide (PubChem CID 157087936) has the molecular formula C40H24F6N6O6 and a molecular weight of 798.66 g/mol. Its IUPAC name is N-[5-(6-cyano-2,2-difluoro-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]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(6-cyano-2,2-difluoro-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]-4-methylbenzamide
PubChem CID157087936
Molecular FormulaC40H24F6N6O6
Molecular Weight798.66 g/mol
Exact Mass798.17
IUPAC NameN-[5-(6-cyano-2,2-difluoro-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]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cnc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)cc1.N#Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)O2
InChIInChI=1S/C20H9F4N3O3.C20H15F2N3O3/c21-13-2-1-3-14(22)18(13)19(28)27-17-5-4-10(9-26-17)12-7-16-15(6-11(12)8-25)29-20(23,24)30-16;1-11-3-5-13(6-4-11)19(26)25-18-10-23-15(9-24-18)14-8-17-16(7-12(14)2)27-20(21,22)28-17/h1-7,9H,(H,26,27,28);3-10H,1-2H3,(H,24,25,26)
InChIKeyAEHRJQWKFCFIGD-UHFFFAOYSA-N
XLogP8.81
TPSA157.58 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.66
LogP ≤ 58.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[5-(6-cyano-2,2-difluoro-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]-4-methylbenzamide with MolForge

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Related Compounds

4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-(2-dimethyl-aminoethyl) benzamide
CID 135316325
4-methyl-N-(5-(6-methylbenzo[d][1,3]dioxol-5-yl)pyrazin-2-yl)nicotinamide
CID 70979313
4-[3-(1,3-Benzodioxol-5-ylmethylamino)pyrazin-2-yl]benzamide
CID 172434273
N-[2-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 46084184
N-[2-[4-[4-(difluoromethoxy)benzoyl]piperazin-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 46084200
N-{2-[4-(3,4-Difluorobenzoyl)piperazin-1-YL]pyridin-3-YL}-2H-1,3-benzodioxole-5-carboxamide
CID 46084428
N-[(2H-1,3-Benzodioxol-5-YL)methyl]-1-[4-(4-fluorophenyl)piperazin-1-YL]isoquinoline-7-carboxamide
CID 53010030
N-[2-[4-(2,6-difluoro-3-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 132459722
4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide
CID 9866801
N-[6-[4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-N-methylanilino]pyridin-3-yl]-4-(trifluoromethyl)benzamide
CID 11599912
N-[6-[4-[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-N-methylanilino]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 11629067
3-(4-cyanophenyl)-N-[6-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]pyridin-3-yl]-4-methylbenzamide
CID 24774834

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-cyano-2,2-difluoro-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]-4-methylbenzamide?
The IUPAC name of N-[5-(6-cyano-2,2-difluoro-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]-4-methylbenzamide (CID 157087936) is N-[5-(6-cyano-2,2-difluoro-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]-4-methylbenzamide.
What is the SMILES notation for N-[5-(6-cyano-2,2-difluoro-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]-4-methylbenzamide?
The canonical SMILES for N-[5-(6-cyano-2,2-difluoro-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]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cnc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)cc1.N#Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OC(F)(F)O2.
What is the InChIKey of N-[5-(6-cyano-2,2-difluoro-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]-4-methylbenzamide?
The InChIKey is AEHRJQWKFCFIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9F4N3O3.C20H15F2N3O3/c21-13-2-1-3-14(22)18(13)19(28)27-17-5-4-10(9-26-17)12-7-16-15(6-11(12)8-25)29-20(23,24)30-16;1-11-3-5-13(6-4-11)19(26)25-18-10-23-15(9-24-18)14-8-17-16(7-12(14)2)27-20(21,22)28-17/h1-7,9H,(H,26,27,28);3-10H,1-2H3,(H,24,25,26).
What are the key properties of N-[5-(6-cyano-2,2-difluoro-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]-4-methylbenzamide?
N-[5-(6-cyano-2,2-difluoro-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]-4-methylbenzamide has a molecular weight of 798.66 g/mol, XLogP of 8.81, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-cyano-2,2-difluoro-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]-4-methylbenzamide is sourced from PubChem (CID 157087936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).