N-(2,4-difluorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide

C20H17F2N3O3 — CID 109245690

IUPACN-(2,4-difluorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)Nc3ccc(F)cc3F)c2)cc1OC
InChIInChI=1S/C20H17F2N3O3/c1-27-18-6-4-14(9-19(18)28-2)24-15-7-12(10-23-11-15)20(26)25-17-5-3-13(21)8-16(17)22/h3-11,24H,1-2H3,(H,25,26)
InChIKeyYOCDBOHDQIRICH-UHFFFAOYSA-N
MW385.37 g/mol
LogP4.37
Rot. Bonds6

About N-(2,4-difluorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide

N-(2,4-difluorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide (PubChem CID 109245690) has the molecular formula C20H17F2N3O3 and a molecular weight of 385.37 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
PubChem CID109245690
Molecular FormulaC20H17F2N3O3
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC NameN-(2,4-difluorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)Nc3ccc(F)cc3F)c2)cc1OC
InChIInChI=1S/C20H17F2N3O3/c1-27-18-6-4-14(9-19(18)28-2)24-15-7-12(10-23-11-15)20(26)25-17-5-3-13(21)8-16(17)22/h3-11,24H,1-2H3,(H,25,26)
InChIKeyYOCDBOHDQIRICH-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

N-(2,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109178399
N-(2,4-difluorophenyl)-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109245490
N-(2-chlorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109244385
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
5-(3-chloroanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 109244550
N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109246197
N-(2,4-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109246256
N-(2,4-difluorophenyl)-6-(3,4-dimethoxyanilino)pyridazine-3-carboxamide
CID 109129713
N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide
CID 109245646
N-(2,4-difluorophenyl)-5-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109245433
N-(2,4-difluorophenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109242767
5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109244615

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide (CID 109245690) is N-(2,4-difluorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide is COc1ccc(Nc2cncc(C(=O)Nc3ccc(F)cc3F)c2)cc1OC.
What is the InChIKey of N-(2,4-difluorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide?
The InChIKey is YOCDBOHDQIRICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3/c1-27-18-6-4-14(9-19(18)28-2)24-15-7-12(10-23-11-15)20(26)25-17-5-3-13(21)8-16(17)22/h3-11,24H,1-2H3,(H,25,26).
What are the key properties of N-(2,4-difluorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide?
N-(2,4-difluorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-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 N-(2,4-difluorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109245690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).