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

C13H11N3O3 — CID 43548362

IUPACN-(6-amino-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
SMILESNc1cc2c(cc1NC(=O)c1ccccn1)OCO2
InChIInChI=1S/C13H11N3O3/c14-8-5-11-12(19-7-18-11)6-10(8)16-13(17)9-3-1-2-4-15-9/h1-6H,7,14H2,(H,16,17)
InChIKeyJPSQWJAXTNVDDK-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.64
Rot. Bonds2

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

N-(6-amino-1,3-benzodioxol-5-yl)pyridine-2-carboxamide (PubChem CID 43548362) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
PubChem CID43548362
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
SMILESNc1cc2c(cc1NC(=O)c1ccccn1)OCO2
InChIInChI=1S/C13H11N3O3/c14-8-5-11-12(19-7-18-11)6-10(8)16-13(17)9-3-1-2-4-15-9/h1-6H,7,14H2,(H,16,17)
InChIKeyJPSQWJAXTNVDDK-UHFFFAOYSA-N
XLogP1.64
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.64
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)-5-fluoropyridine-2-carboxamide
CID 104638032
N-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide
CID 55037245
N-(6-amino-1,3-benzodioxol-5-yl)-2-bromobenzamide
CID 43548363
N-(6-amino-1,3-benzodioxol-5-yl)pyridine-3-carboxamide;dihydrochloride
CID 75415042
N-(2-amino-4-methylphenyl)pyridine-2-carboxamide
CID 43259115
N-(6-amino-1,3-benzodioxol-5-yl)-5-iodothiophene-3-carboxamide
CID 79685249
N-(6-amino-1,3-benzodioxol-5-yl)-5-chlorofuran-2-carboxamide
CID 103807343
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 16777614
N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide
CID 43548279
N-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide
CID 43548296
methyl 4-amino-3-(pyridine-2-carbonylamino)benzoate
CID 110481979

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)pyridine-2-carboxamide?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)pyridine-2-carboxamide (CID 43548362) is N-(6-amino-1,3-benzodioxol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)pyridine-2-carboxamide is Nc1cc2c(cc1NC(=O)c1ccccn1)OCO2.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)pyridine-2-carboxamide?
The InChIKey is JPSQWJAXTNVDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c14-8-5-11-12(19-7-18-11)6-10(8)16-13(17)9-3-1-2-4-15-9/h1-6H,7,14H2,(H,16,17).
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)pyridine-2-carboxamide?
N-(6-amino-1,3-benzodioxol-5-yl)pyridine-2-carboxamide has a molecular weight of 257.25 g/mol, XLogP of 1.64, 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)pyridine-2-carboxamide is sourced from PubChem (CID 43548362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).