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

C21H19F2N3O3 — CID 109193759

IUPAC5-(2,6-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Nc3c(F)cccc3F)cn2)cc1OC
InChIInChI=1S/C21H19F2N3O3/c1-28-18-9-6-13(10-19(18)29-2)11-25-21(27)17-8-7-14(12-24-17)26-20-15(22)4-3-5-16(20)23/h3-10,12,26H,11H2,1-2H3,(H,25,27)
InChIKeyZFVRSRSVCRUYJQ-UHFFFAOYSA-N
MW399.40 g/mol
LogP4.05
Rot. Bonds7

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

5-(2,6-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109193759) has the molecular formula C21H19F2N3O3 and a molecular weight of 399.40 g/mol. Its IUPAC name is 5-(2,6-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,6-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID109193759
Molecular FormulaC21H19F2N3O3
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC Name5-(2,6-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Nc3c(F)cccc3F)cn2)cc1OC
InChIInChI=1S/C21H19F2N3O3/c1-28-18-9-6-13(10-19(18)29-2)11-25-21(27)17-8-7-14(12-24-17)26-20-15(22)4-3-5-16(20)23/h3-10,12,26H,11H2,1-2H3,(H,25,27)
InChIKeyZFVRSRSVCRUYJQ-UHFFFAOYSA-N
XLogP4.05
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109200253
N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189485
5-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109193758
5-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109180086
5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191185
N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188273
N-[(4-fluorophenyl)methyl]-5-(2-methoxyanilino)pyridine-2-carboxamide
CID 109189659
N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683588
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide
CID 109215529
5-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186081
N-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylanilino)pyrazine-2-carboxamide
CID 109285895
5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190439

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(2,6-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide (CID 109193759) is 5-(2,6-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,6-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(2,6-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2ccc(Nc3c(F)cccc3F)cn2)cc1OC.
What is the InChIKey of 5-(2,6-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is ZFVRSRSVCRUYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3/c1-28-18-9-6-13(10-19(18)29-2)11-25-21(27)17-8-7-14(12-24-17)26-20-15(22)4-3-5-16(20)23/h3-10,12,26H,11H2,1-2H3,(H,25,27).
What are the key properties of 5-(2,6-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide?
5-(2,6-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 399.40 g/mol, XLogP of 4.05, 7 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)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109193759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).