2-N-(1,3-benzodioxol-5-yl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide

C20H13F2N3O4 — CID 109101071

IUPAC2-N-(1,3-benzodioxol-5-yl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cccc(C(=O)Nc2c(F)cccc2F)n1
InChIInChI=1S/C20H13F2N3O4/c21-12-3-1-4-13(22)18(12)25-20(27)15-6-2-5-14(24-15)19(26)23-11-7-8-16-17(9-11)29-10-28-16/h1-9H,10H2,(H,23,26)(H,25,27)
InChIKeyVWWORVNKLWQMDQ-UHFFFAOYSA-N
MW397.34 g/mol
LogP3.59
Rot. Bonds4

About 2-N-(1,3-benzodioxol-5-yl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide

2-N-(1,3-benzodioxol-5-yl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide (PubChem CID 109101071) has the molecular formula C20H13F2N3O4 and a molecular weight of 397.34 g/mol. Its IUPAC name is 2-N-(1,3-benzodioxol-5-yl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-(1,3-benzodioxol-5-yl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide
PubChem CID109101071
Molecular FormulaC20H13F2N3O4
Molecular Weight397.34 g/mol
Exact Mass397.09
IUPAC Name2-N-(1,3-benzodioxol-5-yl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cccc(C(=O)Nc2c(F)cccc2F)n1
InChIInChI=1S/C20H13F2N3O4/c21-12-3-1-4-13(22)18(12)25-20(27)15-6-2-5-14(24-15)19(26)23-11-7-8-16-17(9-11)29-10-28-16/h1-9H,10H2,(H,23,26)(H,25,27)
InChIKeyVWWORVNKLWQMDQ-UHFFFAOYSA-N
XLogP3.59
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.34
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(1,3-benzodioxol-5-yl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101072
6-N-(1,3-benzodioxol-5-yl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097797
N-(1,3-benzodioxol-5-yl)-4-(2,6-difluoroanilino)pyridine-2-carboxamide
CID 109222503
N-(1,3-benzodioxol-5-yl)-N'-(2,6-difluorophenyl)propanediamide
CID 108956702
2-N-(1,3-benzodioxol-5-yl)-6-N-(2-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100819
6-N-(1,3-benzodioxol-5-yl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096496
N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide
CID 109318573
2-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100925
N-(1,3-benzodioxol-5-yl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095533
N-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indole-2-carboxamide
CID 110863157
6-N-cyclopropyl-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,6-dicarboxamide
CID 109093973
1-N-(1,3-benzodioxol-5-yl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057439

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide (CID 109101071) is 2-N-(1,3-benzodioxol-5-yl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-(1,3-benzodioxol-5-yl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-(1,3-benzodioxol-5-yl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cccc(C(=O)Nc2c(F)cccc2F)n1.
What is the InChIKey of 2-N-(1,3-benzodioxol-5-yl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide?
The InChIKey is VWWORVNKLWQMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O4/c21-12-3-1-4-13(22)18(12)25-20(27)15-6-2-5-14(24-15)19(26)23-11-7-8-16-17(9-11)29-10-28-16/h1-9H,10H2,(H,23,26)(H,25,27).
What are the key properties of 2-N-(1,3-benzodioxol-5-yl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide?
2-N-(1,3-benzodioxol-5-yl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide has a molecular weight of 397.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-benzodioxol-5-yl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109101071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).