5-[2-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]ethynyl]-N-methylpyridin-2-amine

C23H30N4O — CID 139418021

IUPAC5-[2-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]ethynyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(C#Cc2ccc(OCCN3CCC(N(C)C)CC3)cc2)cn1
InChIInChI=1S/C23H30N4O/c1-24-23-11-8-20(18-25-23)5-4-19-6-9-22(10-7-19)28-17-16-27-14-12-21(13-15-27)26(2)3/h6-11,18,21H,12-17H2,1-3H3,(H,24,25)
InChIKeyVDOFEUDKQQYGQG-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.93
Rot. Bonds6

About 5-[2-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]ethynyl]-N-methylpyridin-2-amine

5-[2-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]ethynyl]-N-methylpyridin-2-amine (PubChem CID 139418021) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 5-[2-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]ethynyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[2-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]ethynyl]-N-methylpyridin-2-amine
PubChem CID139418021
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name5-[2-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]ethynyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(C#Cc2ccc(OCCN3CCC(N(C)C)CC3)cc2)cn1
InChIInChI=1S/C23H30N4O/c1-24-23-11-8-20(18-25-23)5-4-19-6-9-22(10-7-19)28-17-16-27-14-12-21(13-15-27)26(2)3/h6-11,18,21H,12-17H2,1-3H3,(H,24,25)
InChIKeyVDOFEUDKQQYGQG-UHFFFAOYSA-N
XLogP2.93
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[2-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]ethynyl]-N-methylpyridin-2-amine 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 5-[2-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]ethynyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-[2-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]ethynyl]-N-methylpyridin-2-amine (CID 139418021) is 5-[2-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]ethynyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[2-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]ethynyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-[2-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]ethynyl]-N-methylpyridin-2-amine is CNc1ccc(C#Cc2ccc(OCCN3CCC(N(C)C)CC3)cc2)cn1.
What is the InChIKey of 5-[2-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]ethynyl]-N-methylpyridin-2-amine?
The InChIKey is VDOFEUDKQQYGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-24-23-11-8-20(18-25-23)5-4-19-6-9-22(10-7-19)28-17-16-27-14-12-21(13-15-27)26(2)3/h6-11,18,21H,12-17H2,1-3H3,(H,24,25).
What are the key properties of 5-[2-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]ethynyl]-N-methylpyridin-2-amine?
5-[2-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]ethynyl]-N-methylpyridin-2-amine has a molecular weight of 378.52 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]ethynyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 139418021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).