3-(6-methoxy-1,3-benzodioxol-5-yl)pyridin-4-amine

C13H12N2O3 — CID 162632386

IUPAC3-(6-methoxy-1,3-benzodioxol-5-yl)pyridin-4-amine
SMILESCOc1cc2c(cc1-c1cnccc1N)OCO2
InChIInChI=1S/C13H12N2O3/c1-16-11-5-13-12(17-7-18-13)4-8(11)9-6-15-3-2-10(9)14/h2-6H,7H2,1H3,(H2,14,15)
InChIKeyZTVDBGBMRLONGX-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.07
Rot. Bonds2

About 3-(6-methoxy-1,3-benzodioxol-5-yl)pyridin-4-amine

3-(6-methoxy-1,3-benzodioxol-5-yl)pyridin-4-amine (PubChem CID 162632386) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-(6-methoxy-1,3-benzodioxol-5-yl)pyridin-4-amine.

Molecular Properties

Compound Name3-(6-methoxy-1,3-benzodioxol-5-yl)pyridin-4-amine
PubChem CID162632386
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name3-(6-methoxy-1,3-benzodioxol-5-yl)pyridin-4-amine
SMILESCOc1cc2c(cc1-c1cnccc1N)OCO2
InChIInChI=1S/C13H12N2O3/c1-16-11-5-13-12(17-7-18-13)4-8(11)9-6-15-3-2-10(9)14/h2-6H,7H2,1H3,(H2,14,15)
InChIKeyZTVDBGBMRLONGX-UHFFFAOYSA-N
XLogP2.07
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-(6-methoxy-1,3-benzodioxol-5-yl)pyridine
CID 163311853
5-(6-methoxy-1,3-benzodioxol-5-yl)pyrimidin-2-amine
CID 163307237
5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole
CID 162636292
5-(6-methoxy-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-amine
CID 163306861
6-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenoxy]pyridin-3-amine
CID 162632824
6-(6-methoxy-1,3-benzodioxol-5-yl)-N,N-dimethylpyrazine-2-carboxamide
CID 162625904
(1R)-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methyl-1-pyridin-4-ylethanamine
CID 95122713
8-(1,3-benzodioxol-5-yloxy)isoquinolin-5-amine
CID 103139764
2-(6-methoxy-1,3-benzodioxol-5-yl)-1-propan-2-ylimidazole
CID 162638690
5-(6-methoxy-1,3-benzodioxol-5-yl)-3-methyl-1H-pyridazin-6-one
CID 157011122
2-(1,3-benzodioxol-5-yloxy)-4,5-dimethoxyaniline
CID 83005076
5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine
CID 117373049

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-1,3-benzodioxol-5-yl)pyridin-4-amine?
The IUPAC name of 3-(6-methoxy-1,3-benzodioxol-5-yl)pyridin-4-amine (CID 162632386) is 3-(6-methoxy-1,3-benzodioxol-5-yl)pyridin-4-amine.
What is the SMILES notation for 3-(6-methoxy-1,3-benzodioxol-5-yl)pyridin-4-amine?
The canonical SMILES for 3-(6-methoxy-1,3-benzodioxol-5-yl)pyridin-4-amine is COc1cc2c(cc1-c1cnccc1N)OCO2.
What is the InChIKey of 3-(6-methoxy-1,3-benzodioxol-5-yl)pyridin-4-amine?
The InChIKey is ZTVDBGBMRLONGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-16-11-5-13-12(17-7-18-13)4-8(11)9-6-15-3-2-10(9)14/h2-6H,7H2,1H3,(H2,14,15).
What are the key properties of 3-(6-methoxy-1,3-benzodioxol-5-yl)pyridin-4-amine?
3-(6-methoxy-1,3-benzodioxol-5-yl)pyridin-4-amine has a molecular weight of 244.25 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-1,3-benzodioxol-5-yl)pyridin-4-amine is sourced from PubChem (CID 162632386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).