N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide

C20H17F2N3O3 — CID 113020111

IUPACN-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3ccc(F)c(F)c3)cn2)cc1OC
InChIInChI=1S/C20H17F2N3O3/c1-27-17-7-4-13(10-18(17)28-2)24-19-8-5-14(11-23-19)25-20(26)12-3-6-15(21)16(22)9-12/h3-11H,1-2H3,(H,23,24)(H,25,26)
InChIKeyWPUAUOGECBBNPE-UHFFFAOYSA-N
MW385.37 g/mol
LogP4.37
Rot. Bonds6

About N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide

N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide (PubChem CID 113020111) has the molecular formula C20H17F2N3O3 and a molecular weight of 385.37 g/mol. Its IUPAC name is N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
PubChem CID113020111
Molecular FormulaC20H17F2N3O3
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC NameN-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3ccc(F)c(F)c3)cn2)cc1OC
InChIInChI=1S/C20H17F2N3O3/c1-27-17-7-4-13(10-18(17)28-2)24-19-8-5-14(11-23-19)25-20(26)12-3-6-15(21)16(22)9-12/h3-11H,1-2H3,(H,23,24)(H,25,26)
InChIKeyWPUAUOGECBBNPE-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-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113019113
N-[4-(3,4-dimethoxyanilino)phenyl]-3,4-difluorobenzamide
CID 112988010
methyl 3-[[5-[(3,4-difluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020698
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109178406
N-(3-chloro-4-methoxyphenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide
CID 109163790
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113034755
6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109163225
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113019095
3,4-difluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017842
methyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate
CID 113020119
6-(3,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163977
N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113022770

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide?
The IUPAC name of N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide (CID 113020111) is N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide is COc1ccc(Nc2ccc(NC(=O)c3ccc(F)c(F)c3)cn2)cc1OC.
What is the InChIKey of N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide?
The InChIKey is WPUAUOGECBBNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3/c1-27-17-7-4-13(10-18(17)28-2)24-19-8-5-14(11-23-19)25-20(26)12-3-6-15(21)16(22)9-12/h3-11H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide?
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide 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-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide is sourced from PubChem (CID 113020111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).