2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-cyanophenyl)pyridine-3-carbonitrile

C20H12N4O2 — CID 5120562

IUPAC2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-cyanophenyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc4c(c3)OCO4)c(C#N)c(N)n2)cc1
InChIInChI=1S/C20H12N4O2/c21-9-12-1-3-13(4-2-12)17-8-15(16(10-22)20(23)24-17)14-5-6-18-19(7-14)26-11-25-18/h1-8H,11H2,(H2,23,24)
InChIKeyPMMMQUBPWZINDK-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.47
Rot. Bonds2

About 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-cyanophenyl)pyridine-3-carbonitrile

2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-cyanophenyl)pyridine-3-carbonitrile (PubChem CID 5120562) has the molecular formula C20H12N4O2 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-cyanophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-cyanophenyl)pyridine-3-carbonitrile
PubChem CID5120562
Molecular FormulaC20H12N4O2
Molecular Weight340.34 g/mol
Exact Mass340.10
IUPAC Name2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-cyanophenyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc4c(c3)OCO4)c(C#N)c(N)n2)cc1
InChIInChI=1S/C20H12N4O2/c21-9-12-1-3-13(4-2-12)17-8-15(16(10-22)20(23)24-17)14-5-6-18-19(7-14)26-11-25-18/h1-8H,11H2,(H2,23,24)
InChIKeyPMMMQUBPWZINDK-UHFFFAOYSA-N
XLogP3.47
TPSA104.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-cyanophenyl)pyridine-3-carbonitrile 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

2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)pyridine-3-carbonitrile
CID 1102077
2-amino-4-(1,3-benzodioxol-5-yl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5254075
2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)benzene-1,3-dicarbonitrile
CID 5344235
2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4659159
2-amino-4-(1,3-benzodioxol-5-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 856305
2-amino-6-(4-aminophenyl)-4-(3,4-dihydroxyphenyl)pyridine-3-carbonitrile
CID 177295527
2-amino-6-(1,3-benzodioxol-5-yl)-4-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-3-carbonitrile
CID 56866597
2-amino-6-(4-cyanophenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 5229657
4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)benzonitrile
CID 30333496
6-(1,3-benzodioxol-5-yl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2110872
2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-6-(4-propylphenyl)pyridine-3-carbonitrile
CID 5088047
2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)pyridin-1-ium-3-carbonitrile
CID 6951851

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-cyanophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-cyanophenyl)pyridine-3-carbonitrile (CID 5120562) is 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-cyanophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-cyanophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-cyanophenyl)pyridine-3-carbonitrile is N#Cc1ccc(-c2cc(-c3ccc4c(c3)OCO4)c(C#N)c(N)n2)cc1.
What is the InChIKey of 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-cyanophenyl)pyridine-3-carbonitrile?
The InChIKey is PMMMQUBPWZINDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O2/c21-9-12-1-3-13(4-2-12)17-8-15(16(10-22)20(23)24-17)14-5-6-18-19(7-14)26-11-25-18/h1-8H,11H2,(H2,23,24).
What are the key properties of 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-cyanophenyl)pyridine-3-carbonitrile?
2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-cyanophenyl)pyridine-3-carbonitrile has a molecular weight of 340.34 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-cyanophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5120562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).