5-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide

C20H17F2N3O3 — CID 109200253

IUPAC5-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3c(F)cccc3F)cn2)cc1OC
InChIInChI=1S/C20H17F2N3O3/c1-27-17-9-7-12(10-18(17)28-2)25-20(26)16-8-6-13(11-23-16)24-19-14(21)4-3-5-15(19)22/h3-11,24H,1-2H3,(H,25,26)
InChIKeyWXGLGUGZTXMQDK-UHFFFAOYSA-N
MW385.37 g/mol
LogP4.37
Rot. Bonds6

About 5-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide

5-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide (PubChem CID 109200253) has the molecular formula C20H17F2N3O3 and a molecular weight of 385.37 g/mol. Its IUPAC name is 5-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
PubChem CID109200253
Molecular FormulaC20H17F2N3O3
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC Name5-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3c(F)cccc3F)cn2)cc1OC
InChIInChI=1S/C20H17F2N3O3/c1-27-17-9-7-12(10-18(17)28-2)25-20(26)16-8-6-13(11-23-16)24-19-14(21)4-3-5-15(19)22/h3-11,24H,1-2H3,(H,25,26)
InChIKeyWXGLGUGZTXMQDK-UHFFFAOYSA-N
XLogP4.37
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129733
5-(2,6-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109193759
5-(2,6-difluoroanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109200665
N-(3,4-dimethoxyphenyl)-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109198607
N-(2,6-difluorophenyl)-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide
CID 109293971
N-[4-(2,6-difluoroanilino)phenyl]-3,4-dimethoxybenzamide
CID 112990211
N-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109192451
5-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109198682
N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195662
5-(3,4-difluoroanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199817
N-(2-fluorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109198831
5-(2,6-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109200966

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide (CID 109200253) is 5-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide is COc1ccc(NC(=O)c2ccc(Nc3c(F)cccc3F)cn2)cc1OC.
What is the InChIKey of 5-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is WXGLGUGZTXMQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3/c1-27-17-9-7-12(10-18(17)28-2)25-20(26)16-8-6-13(11-23-16)24-19-14(21)4-3-5-15(19)22/h3-11,24H,1-2H3,(H,25,26).
What are the key properties of 5-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide?
5-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 385.37 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109200253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).