2-amino-4-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile

C16H18N4O2 — CID 3064501

IUPAC2-amino-4-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile
SMILESCOc1ccc(CCNc2ccnc(N)c2C#N)cc1OC
InChIInChI=1S/C16H18N4O2/c1-21-14-4-3-11(9-15(14)22-2)5-7-19-13-6-8-20-16(18)12(13)10-17/h3-4,6,8-9H,5,7H2,1-2H3,(H3,18,19,20)
InChIKeyDYDUQMCKORIYKW-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.21
Rot. Bonds6

About 2-amino-4-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile

2-amino-4-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile (PubChem CID 3064501) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-amino-4-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile
PubChem CID3064501
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-amino-4-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile
SMILESCOc1ccc(CCNc2ccnc(N)c2C#N)cc1OC
InChIInChI=1S/C16H18N4O2/c1-21-14-4-3-11(9-15(14)22-2)5-7-19-13-6-8-20-16(18)12(13)10-17/h3-4,6,8-9H,5,7H2,1-2H3,(H3,18,19,20)
InChIKeyDYDUQMCKORIYKW-UHFFFAOYSA-N
XLogP2.21
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-[2-(3,4-dimethoxyphenyl)ethylamino]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

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile (CID 3064501) is 2-amino-4-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile is COc1ccc(CCNc2ccnc(N)c2C#N)cc1OC.
What is the InChIKey of 2-amino-4-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is DYDUQMCKORIYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-21-14-4-3-11(9-15(14)22-2)5-7-19-13-6-8-20-16(18)12(13)10-17/h3-4,6,8-9H,5,7H2,1-2H3,(H3,18,19,20).
What are the key properties of 2-amino-4-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile?
2-amino-4-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 298.35 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 3064501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).