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

C13H11N3O3 — CID 81235040

IUPAC4-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H11N3O3/c14-10-3-4-15-6-9(10)13(17)16-8-1-2-11-12(5-8)19-7-18-11/h1-6H,7H2,(H2,14,15)(H,16,17)
InChIKeyZQIDUBWGEWVUHM-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.64
Rot. Bonds2

About 4-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-carboxamide

4-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-carboxamide (PubChem CID 81235040) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-carboxamide
PubChem CID81235040
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name4-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H11N3O3/c14-10-3-4-15-6-9(10)13(17)16-8-1-2-11-12(5-8)19-7-18-11/h1-6H,7H2,(H2,14,15)(H,16,17)
InChIKeyZQIDUBWGEWVUHM-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

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Related Compounds

2-amino-N-(1,3-benzodioxol-5-yl)-5-methylbenzamide
CID 62059841
6-amino-N-pyridin-3-yl-1,3-benzodioxole-5-carboxamide
CID 103542764
3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 104740959
N-(1,3-benzodioxol-5-yl)-1,3-oxazole-5-carboxamide
CID 96596349
4-amino-N-naphthalen-2-ylpyridine-3-carboxamide
CID 81240881
N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide
CID 82786917
N-(1,3-benzodioxol-5-yl)-2-bromo-5-iodobenzamide
CID 103988951
N-(1,3-benzodioxol-5-yl)quinoxaline-5-carboxamide
CID 110701467
4-amino-N-(1,3-benzodioxol-5-yl)-1-ethylpyrazole-5-carboxamide
CID 65356994
N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide
CID 107980044
methyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate
CID 110861759
2-amino-N-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide
CID 62787318

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-carboxamide (CID 81235040) is 4-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-carboxamide is Nc1ccncc1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 4-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-carboxamide?
The InChIKey is ZQIDUBWGEWVUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c14-10-3-4-15-6-9(10)13(17)16-8-1-2-11-12(5-8)19-7-18-11/h1-6H,7H2,(H2,14,15)(H,16,17).
What are the key properties of 4-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-carboxamide?
4-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-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 4-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 81235040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).