N-(6-amino-1,3-benzodioxol-5-yl)-5-fluoropyridine-2-carboxamide

C13H10FN3O3 — CID 104638032

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-5-fluoropyridine-2-carboxamide
SMILESNc1cc2c(cc1NC(=O)c1ccc(F)cn1)OCO2
InChIInChI=1S/C13H10FN3O3/c14-7-1-2-9(16-5-7)13(18)17-10-4-12-11(3-8(10)15)19-6-20-12/h1-5H,6,15H2,(H,17,18)
InChIKeyIIBYXQDNBNUSJG-UHFFFAOYSA-N
MW275.24 g/mol
LogP1.78
Rot. Bonds2

About N-(6-amino-1,3-benzodioxol-5-yl)-5-fluoropyridine-2-carboxamide

N-(6-amino-1,3-benzodioxol-5-yl)-5-fluoropyridine-2-carboxamide (PubChem CID 104638032) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-5-fluoropyridine-2-carboxamide
PubChem CID104638032
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-5-fluoropyridine-2-carboxamide
SMILESNc1cc2c(cc1NC(=O)c1ccc(F)cn1)OCO2
InChIInChI=1S/C13H10FN3O3/c14-7-1-2-9(16-5-7)13(18)17-10-4-12-11(3-8(10)15)19-6-20-12/h1-5H,6,15H2,(H,17,18)
InChIKeyIIBYXQDNBNUSJG-UHFFFAOYSA-N
XLogP1.78
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 43548362
N-(6-amino-1,3-benzodioxol-5-yl)-5-chlorofuran-2-carboxamide
CID 103807343
N-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 104667498
N-(6-amino-1,3-benzodioxol-5-yl)pyridine-3-carboxamide;dihydrochloride
CID 75415042
N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide
CID 43548279
N-(6-amino-1,3-benzodioxol-5-yl)-2-bromobenzamide
CID 43548363
N-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide
CID 43548296
N-(6-amino-1,3-benzodioxol-5-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 81483575
N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189807
N-(3-amino-5-fluorophenyl)-5-fluoropyridine-2-carboxamide
CID 107333949
N-(6-amino-1,3-benzodioxol-5-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119619097
N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 55230967

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-5-fluoropyridine-2-carboxamide (CID 104638032) is N-(6-amino-1,3-benzodioxol-5-yl)-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-5-fluoropyridine-2-carboxamide is Nc1cc2c(cc1NC(=O)c1ccc(F)cn1)OCO2.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-5-fluoropyridine-2-carboxamide?
The InChIKey is IIBYXQDNBNUSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3/c14-7-1-2-9(16-5-7)13(18)17-10-4-12-11(3-8(10)15)19-6-20-12/h1-5H,6,15H2,(H,17,18).
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-5-fluoropyridine-2-carboxamide?
N-(6-amino-1,3-benzodioxol-5-yl)-5-fluoropyridine-2-carboxamide has a molecular weight of 275.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 104638032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).