N-(3-amino-4-pyridinyl)-3,4-difluorobenzamide

C12H9F2N3O — CID 63061741

IUPACN-(3-amino-4-pyridinyl)-3,4-difluorobenzamide
SMILESNc1cnccc1NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H9F2N3O/c13-8-2-1-7(5-9(8)14)12(18)17-11-3-4-16-6-10(11)15/h1-6H,15H2,(H,16,17,18)
InChIKeyHMWBODZPFGCSTQ-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.19
Rot. Bonds2

About N-(3-amino-4-pyridinyl)-3,4-difluorobenzamide

N-(3-amino-4-pyridinyl)-3,4-difluorobenzamide (PubChem CID 63061741) has the molecular formula C12H9F2N3O and a molecular weight of 249.22 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-3,4-difluorobenzamide
PubChem CID63061741
Molecular FormulaC12H9F2N3O
Molecular Weight249.22 g/mol
Exact Mass249.07
IUPAC NameN-(3-amino-4-pyridinyl)-3,4-difluorobenzamide
SMILESNc1cnccc1NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H9F2N3O/c13-8-2-1-7(5-9(8)14)12(18)17-11-3-4-16-6-10(11)15/h1-6H,15H2,(H,16,17,18)
InChIKeyHMWBODZPFGCSTQ-UHFFFAOYSA-N
XLogP2.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-pyridinyl)-4-tert-butylbenzamide
CID 63063621
N-(3-amino-4-pyridinyl)-4-ethylbenzamide
CID 63062261
4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 103871197
4-amino-N-[4-(dimethylamino)-3-pyridinyl]-3-fluorobenzamide
CID 63187716
N-(3-amino-4-pyridinyl)-1H-pyrazole-4-carboxamide
CID 63084907
N-(3-amino-4-pyridinyl)-4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]benzamide
CID 44594972
4-amino-3-fluoro-N-isoquinolin-5-ylbenzamide
CID 62677576
N-(3-bromo-4-pyridinyl)-4-chloro-3-fluorobenzamide
CID 113343605
3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 62814302
N-(3-amino-4-pyridinyl)-2,4-dimethylbenzamide
CID 63062252
N-(3-amino-4-pyridinyl)-2,6-dihydroxybenzamide
CID 107687654
1-(3-amino-4-pyridinyl)-3-(2,4-difluorophenyl)urea
CID 63062599

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-3,4-difluorobenzamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-3,4-difluorobenzamide (CID 63061741) is N-(3-amino-4-pyridinyl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-3,4-difluorobenzamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-3,4-difluorobenzamide is Nc1cnccc1NC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3-amino-4-pyridinyl)-3,4-difluorobenzamide?
The InChIKey is HMWBODZPFGCSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O/c13-8-2-1-7(5-9(8)14)12(18)17-11-3-4-16-6-10(11)15/h1-6H,15H2,(H,16,17,18).
What are the key properties of N-(3-amino-4-pyridinyl)-3,4-difluorobenzamide?
N-(3-amino-4-pyridinyl)-3,4-difluorobenzamide has a molecular weight of 249.22 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-3,4-difluorobenzamide is sourced from PubChem (CID 63061741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).