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

C19H16N2O4 — CID 162632824

IUPAC6-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenoxy]pyridin-3-amine
SMILESCOc1cc2c(cc1-c1ccc(Oc3ccc(N)cn3)cc1)OCO2
InChIInChI=1S/C19H16N2O4/c1-22-16-9-18-17(23-11-24-18)8-15(16)12-2-5-14(6-3-12)25-19-7-4-13(20)10-21-19/h2-10H,11,20H2,1H3
InChIKeyLPDBNKRRLMAGSP-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.86
Rot. Bonds4

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

6-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenoxy]pyridin-3-amine (PubChem CID 162632824) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 6-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenoxy]pyridin-3-amine.

Molecular Properties

Compound Name6-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenoxy]pyridin-3-amine
PubChem CID162632824
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name6-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenoxy]pyridin-3-amine
SMILESCOc1cc2c(cc1-c1ccc(Oc3ccc(N)cn3)cc1)OCO2
InChIInChI=1S/C19H16N2O4/c1-22-16-9-18-17(23-11-24-18)8-15(16)12-2-5-14(6-3-12)25-19-7-4-13(20)10-21-19/h2-10H,11,20H2,1H3
InChIKeyLPDBNKRRLMAGSP-UHFFFAOYSA-N
XLogP3.86
TPSA75.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}

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Related Compounds

5-(6-methoxy-1,3-benzodioxol-5-yl)pyrimidin-2-amine
CID 163307237
6-(4-methylphenoxy)pyridin-3-amine
CID 4763818
5-[4-[(5-amino-2-pyridinyl)oxy]phenyl]-4-methylpyridin-2-amine
CID 162628374
6-(3,5-dimethoxyphenoxy)pyridin-3-amine
CID 43589800
6-(3,4-dimethylphenoxy)pyridin-3-amine
CID 16787193
3-(6-methoxy-1,3-benzodioxol-5-yl)pyridin-4-amine
CID 162632386
6-(3-methoxyphenoxy)pyridin-3-amine
CID 806744
6-(2-bromo-4-methoxyphenoxy)pyridin-3-amine
CID 104706426
6-(1,3-benzodioxol-5-yl)pyridin-3-amine
CID 82394049
1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone
CID 18673928
3-methoxy-4-(4-phenoxyphenyl)aniline
CID 57279676
6-(6-methoxynaphthalen-2-yl)-1,3-benzodioxol-5-amine
CID 22716426

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenoxy]pyridin-3-amine?
The IUPAC name of 6-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenoxy]pyridin-3-amine (CID 162632824) is 6-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenoxy]pyridin-3-amine.
What is the SMILES notation for 6-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenoxy]pyridin-3-amine?
The canonical SMILES for 6-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenoxy]pyridin-3-amine is COc1cc2c(cc1-c1ccc(Oc3ccc(N)cn3)cc1)OCO2.
What is the InChIKey of 6-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenoxy]pyridin-3-amine?
The InChIKey is LPDBNKRRLMAGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-22-16-9-18-17(23-11-24-18)8-15(16)12-2-5-14(6-3-12)25-19-7-4-13(20)10-21-19/h2-10H,11,20H2,1H3.
What are the key properties of 6-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenoxy]pyridin-3-amine?
6-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenoxy]pyridin-3-amine has a molecular weight of 336.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenoxy]pyridin-3-amine is sourced from PubChem (CID 162632824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).