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

C13H13Cl2N3O3 — CID 75415042

IUPACN-(6-amino-1,3-benzodioxol-5-yl)pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.Nc1cc2c(cc1NC(=O)c1cccnc1)OCO2
InChIInChI=1S/C13H11N3O3.2ClH/c14-9-4-11-12(19-7-18-11)5-10(9)16-13(17)8-2-1-3-15-6-8;;/h1-6H,7,14H2,(H,16,17);2*1H
InChIKeyUPYZFCRVSFKUHX-UHFFFAOYSA-N
MW330.17 g/mol
LogP2.49
Rot. Bonds2

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

N-(6-amino-1,3-benzodioxol-5-yl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 75415042) has the molecular formula C13H13Cl2N3O3 and a molecular weight of 330.17 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)pyridine-3-carboxamide;dihydrochloride
PubChem CID75415042
Molecular FormulaC13H13Cl2N3O3
Molecular Weight330.17 g/mol
Exact Mass329.03
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.Nc1cc2c(cc1NC(=O)c1cccnc1)OCO2
InChIInChI=1S/C13H11N3O3.2ClH/c14-9-4-11-12(19-7-18-11)5-10(9)16-13(17)8-2-1-3-15-6-8;;/h1-6H,7,14H2,(H,16,17);2*1H
InChIKeyUPYZFCRVSFKUHX-UHFFFAOYSA-N
XLogP2.49
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(6-amino-1,3-benzodioxol-5-yl)pyridine-3-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 43548362
6-amino-N-pyridin-3-yl-1,3-benzodioxole-5-carboxamide
CID 103542764
N-(6-amino-1,3-benzodioxol-5-yl)-5-iodothiophene-3-carboxamide
CID 79685249
N-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide
CID 43548296
N-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 3042222
N-(2-amino-4-cyanophenyl)pyridine-3-carboxamide
CID 78965630
N-(6-amino-1,3-benzodioxol-5-yl)-5-fluoropyridine-2-carboxamide
CID 104638032
N-[3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 46409815
N-(6-amino-1,3-benzodioxol-5-yl)-2-bromobenzamide
CID 43548363
N-(6-amino-1,3-benzodioxol-5-yl)-5-chlorofuran-2-carboxamide
CID 103807343
N-(6-amino-1,3-benzodioxol-5-yl)-4-(1,3-dithian-2-yl)benzamide;hydrochloride
CID 119618244
N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]pyridine-3-carboxamide
CID 112982804

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)pyridine-3-carboxamide;dihydrochloride (CID 75415042) is N-(6-amino-1,3-benzodioxol-5-yl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)pyridine-3-carboxamide;dihydrochloride is Cl.Cl.Nc1cc2c(cc1NC(=O)c1cccnc1)OCO2.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is UPYZFCRVSFKUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3.2ClH/c14-9-4-11-12(19-7-18-11)5-10(9)16-13(17)8-2-1-3-15-6-8;;/h1-6H,7,14H2,(H,16,17);2*1H.
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)pyridine-3-carboxamide;dihydrochloride?
N-(6-amino-1,3-benzodioxol-5-yl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 330.17 g/mol, XLogP of 2.49, 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-3-carboxamide;dihydrochloride is sourced from PubChem (CID 75415042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).