N-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-N-methylpyridin-3-amine

C21H20N2O4 — CID 68948577

IUPACN-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-N-methylpyridin-3-amine
SMILESCOc1ccc(-c2cncc(N(C)c3ccc4c(c3)OCO4)c2)cc1OC
InChIInChI=1S/C21H20N2O4/c1-23(16-5-7-19-21(10-16)27-13-26-19)17-8-15(11-22-12-17)14-4-6-18(24-2)20(9-14)25-3/h4-12H,13H2,1-3H3
InChIKeyWAYGOQAQGATAGR-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.26
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-N-methylpyridin-3-amine

N-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-N-methylpyridin-3-amine (PubChem CID 68948577) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-N-methylpyridin-3-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-N-methylpyridin-3-amine
PubChem CID68948577
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-N-methylpyridin-3-amine
SMILESCOc1ccc(-c2cncc(N(C)c3ccc4c(c3)OCO4)c2)cc1OC
InChIInChI=1S/C21H20N2O4/c1-23(16-5-7-19-21(10-16)27-13-26-19)17-8-15(11-22-12-17)14-4-6-18(24-2)20(9-14)25-3/h4-12H,13H2,1-3H3
InChIKeyWAYGOQAQGATAGR-UHFFFAOYSA-N
XLogP4.26
TPSA53.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-N-methylpyridin-3-amine 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

4-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)-1H-pyridin-2-one
CID 44545014
5-[2-[4-[2-(3,4-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,3-benzodioxole
CID 170459548
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(3,4-dimethoxyphenyl)-2-pyridinyl]ethanone
CID 58347066
1-(1,3-benzodioxol-5-yl)-N-[[5-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53271868
5-[2-[2-[2-(3,4-dimethoxyphenyl)ethynyl]-4,5-dimethoxyphenyl]ethynyl]-1,3-benzodioxole
CID 170459710
2-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 53153686
5-chloro-8-(3,4-dimethoxyphenyl)-6,7-dimethylbenzo[f][1,3]benzodioxole
CID 11440150
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 18111575
3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-methylisoquinoline
CID 23296085
N-(1,3-benzodioxol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 768991
5-[(3,4-dimethoxyphenyl)methylsulfinylmethyl]-1,3-benzodioxole
CID 10711770
3-(1,3-benzodioxol-5-ylamino)-4-(3,4-dimethoxyphenyl)-1-propylpyrrole-2,5-dione
CID 110564123

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-N-methylpyridin-3-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-N-methylpyridin-3-amine (CID 68948577) is N-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-N-methylpyridin-3-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-N-methylpyridin-3-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-N-methylpyridin-3-amine is COc1ccc(-c2cncc(N(C)c3ccc4c(c3)OCO4)c2)cc1OC.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-N-methylpyridin-3-amine?
The InChIKey is WAYGOQAQGATAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-23(16-5-7-19-21(10-16)27-13-26-19)17-8-15(11-22-12-17)14-4-6-18(24-2)20(9-14)25-3/h4-12H,13H2,1-3H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-N-methylpyridin-3-amine?
N-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-N-methylpyridin-3-amine has a molecular weight of 364.40 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-N-methylpyridin-3-amine is sourced from PubChem (CID 68948577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).