N-(4-amino-3-pyridinyl)-3-(2,6-difluorophenyl)-2,4-difluorobenzamide;dihydrochloride

C18H13Cl2F4N3O — CID 170647620

IUPACN-(4-amino-3-pyridinyl)-3-(2,6-difluorophenyl)-2,4-difluorobenzamide;dihydrochloride
SMILESCl.Cl.Nc1ccncc1NC(=O)c1ccc(F)c(-c2c(F)cccc2F)c1F
InChIInChI=1S/C18H11F4N3O.2ClH/c19-10-2-1-3-11(20)15(10)16-12(21)5-4-9(17(16)22)18(26)25-14-8-24-7-6-13(14)23;;/h1-8H,(H2,23,24)(H,25,26);2*1H
InChIKeyYOGFXZOCKQHKKG-UHFFFAOYSA-N
MW434.22 g/mol
LogP4.98
Rot. Bonds3

About N-(4-amino-3-pyridinyl)-3-(2,6-difluorophenyl)-2,4-difluorobenzamide;dihydrochloride

N-(4-amino-3-pyridinyl)-3-(2,6-difluorophenyl)-2,4-difluorobenzamide;dihydrochloride (PubChem CID 170647620) has the molecular formula C18H13Cl2F4N3O and a molecular weight of 434.22 g/mol. Its IUPAC name is N-(4-amino-3-pyridinyl)-3-(2,6-difluorophenyl)-2,4-difluorobenzamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-amino-3-pyridinyl)-3-(2,6-difluorophenyl)-2,4-difluorobenzamide;dihydrochloride
PubChem CID170647620
Molecular FormulaC18H13Cl2F4N3O
Molecular Weight434.22 g/mol
Exact Mass433.04
IUPAC NameN-(4-amino-3-pyridinyl)-3-(2,6-difluorophenyl)-2,4-difluorobenzamide;dihydrochloride
SMILESCl.Cl.Nc1ccncc1NC(=O)c1ccc(F)c(-c2c(F)cccc2F)c1F
InChIInChI=1S/C18H11F4N3O.2ClH/c19-10-2-1-3-11(20)15(10)16-12(21)5-4-9(17(16)22)18(26)25-14-8-24-7-6-13(14)23;;/h1-8H,(H2,23,24)(H,25,26);2*1H
InChIKeyYOGFXZOCKQHKKG-UHFFFAOYSA-N
XLogP4.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.22
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-aminopropyl)-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide
CID 170647714
N-[4-[[(1S,2S)-2-aminocyclopentyl]amino]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide;dihydrochloride
CID 170647630
N-[4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide
CID 170647649
N-[4-[(1S,2S)-2-aminocyclopentyl]oxy-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide
CID 170647889
3-(4-amino-2,6-difluorophenyl)-N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2,4-difluorobenzamide
CID 169262346
N-(2-amino-6-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 81315197
2-amino-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594598
N-(4-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80712464
3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 106544474
3-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 105068435
N-(4-amino-3-pyridinyl)acetamide
CID 11593462
2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 155976888

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-pyridinyl)-3-(2,6-difluorophenyl)-2,4-difluorobenzamide;dihydrochloride?
The IUPAC name of N-(4-amino-3-pyridinyl)-3-(2,6-difluorophenyl)-2,4-difluorobenzamide;dihydrochloride (CID 170647620) is N-(4-amino-3-pyridinyl)-3-(2,6-difluorophenyl)-2,4-difluorobenzamide;dihydrochloride.
What is the SMILES notation for N-(4-amino-3-pyridinyl)-3-(2,6-difluorophenyl)-2,4-difluorobenzamide;dihydrochloride?
The canonical SMILES for N-(4-amino-3-pyridinyl)-3-(2,6-difluorophenyl)-2,4-difluorobenzamide;dihydrochloride is Cl.Cl.Nc1ccncc1NC(=O)c1ccc(F)c(-c2c(F)cccc2F)c1F.
What is the InChIKey of N-(4-amino-3-pyridinyl)-3-(2,6-difluorophenyl)-2,4-difluorobenzamide;dihydrochloride?
The InChIKey is YOGFXZOCKQHKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N3O.2ClH/c19-10-2-1-3-11(20)15(10)16-12(21)5-4-9(17(16)22)18(26)25-14-8-24-7-6-13(14)23;;/h1-8H,(H2,23,24)(H,25,26);2*1H.
What are the key properties of N-(4-amino-3-pyridinyl)-3-(2,6-difluorophenyl)-2,4-difluorobenzamide;dihydrochloride?
N-(4-amino-3-pyridinyl)-3-(2,6-difluorophenyl)-2,4-difluorobenzamide;dihydrochloride has a molecular weight of 434.22 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-pyridinyl)-3-(2,6-difluorophenyl)-2,4-difluorobenzamide;dihydrochloride is sourced from PubChem (CID 170647620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).