3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[3-(methylamino)propyl]benzonitrile

C19H24N4 — CID 134686794

IUPAC3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[3-(methylamino)propyl]benzonitrile
SMILESCNCCCc1cc(C#N)cc(CCc2cc(C)cc(N)n2)c1
InChIInChI=1S/C19H24N4/c1-14-8-18(23-19(21)9-14)6-5-16-10-15(4-3-7-22-2)11-17(12-16)13-20/h8-12,22H,3-7H2,1-2H3,(H2,21,23)
InChIKeyZTTVVSIEPMOZBM-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.78
Rot. Bonds7

About 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[3-(methylamino)propyl]benzonitrile

3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[3-(methylamino)propyl]benzonitrile (PubChem CID 134686794) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[3-(methylamino)propyl]benzonitrile.

Molecular Properties

Compound Name3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[3-(methylamino)propyl]benzonitrile
PubChem CID134686794
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[3-(methylamino)propyl]benzonitrile
SMILESCNCCCc1cc(C#N)cc(CCc2cc(C)cc(N)n2)c1
InChIInChI=1S/C19H24N4/c1-14-8-18(23-19(21)9-14)6-5-16-10-15(4-3-7-22-2)11-17(12-16)13-20/h8-12,22H,3-7H2,1-2H3,(H2,21,23)
InChIKeyZTTVVSIEPMOZBM-UHFFFAOYSA-N
XLogP2.78
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[3-(methylamino)propyl]benzonitrile 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 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[3-(methylamino)propyl]benzonitrile?
The IUPAC name of 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[3-(methylamino)propyl]benzonitrile (CID 134686794) is 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[3-(methylamino)propyl]benzonitrile.
What is the SMILES notation for 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[3-(methylamino)propyl]benzonitrile?
The canonical SMILES for 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[3-(methylamino)propyl]benzonitrile is CNCCCc1cc(C#N)cc(CCc2cc(C)cc(N)n2)c1.
What is the InChIKey of 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[3-(methylamino)propyl]benzonitrile?
The InChIKey is ZTTVVSIEPMOZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-14-8-18(23-19(21)9-14)6-5-16-10-15(4-3-7-22-2)11-17(12-16)13-20/h8-12,22H,3-7H2,1-2H3,(H2,21,23).
What are the key properties of 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[3-(methylamino)propyl]benzonitrile?
3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[3-(methylamino)propyl]benzonitrile has a molecular weight of 308.43 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[3-(methylamino)propyl]benzonitrile is sourced from PubChem (CID 134686794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).