4-[6-methoxy-3-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N,N-dimethylaniline

C25H30N4O — CID 53232375

IUPAC4-[6-methoxy-3-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N,N-dimethylaniline
SMILESCOc1ccc(N2CCN(c3ccc(C)cc3)CC2)c(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C25H30N4O/c1-19-5-9-22(10-6-19)28-15-17-29(18-16-28)23-13-14-24(30-4)26-25(23)20-7-11-21(12-8-20)27(2)3/h5-14H,15-18H2,1-4H3
InChIKeyNTJHGMTVVQBEDH-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.46
Rot. Bonds5

About 4-[6-methoxy-3-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N,N-dimethylaniline

4-[6-methoxy-3-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N,N-dimethylaniline (PubChem CID 53232375) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 4-[6-methoxy-3-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[6-methoxy-3-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N,N-dimethylaniline
PubChem CID53232375
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name4-[6-methoxy-3-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N,N-dimethylaniline
SMILESCOc1ccc(N2CCN(c3ccc(C)cc3)CC2)c(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C25H30N4O/c1-19-5-9-22(10-6-19)28-15-17-29(18-16-28)23-13-14-24(30-4)26-25(23)20-7-11-21(12-8-20)27(2)3/h5-14H,15-18H2,1-4H3
InChIKeyNTJHGMTVVQBEDH-UHFFFAOYSA-N
XLogP4.46
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-[6-methoxy-3-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N,N-dimethylaniline 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 4-[6-methoxy-3-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N,N-dimethylaniline?
The IUPAC name of 4-[6-methoxy-3-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N,N-dimethylaniline (CID 53232375) is 4-[6-methoxy-3-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[6-methoxy-3-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[6-methoxy-3-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N,N-dimethylaniline is COc1ccc(N2CCN(c3ccc(C)cc3)CC2)c(-c2ccc(N(C)C)cc2)n1.
What is the InChIKey of 4-[6-methoxy-3-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N,N-dimethylaniline?
The InChIKey is NTJHGMTVVQBEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-19-5-9-22(10-6-19)28-15-17-29(18-16-28)23-13-14-24(30-4)26-25(23)20-7-11-21(12-8-20)27(2)3/h5-14H,15-18H2,1-4H3.
What are the key properties of 4-[6-methoxy-3-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N,N-dimethylaniline?
4-[6-methoxy-3-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N,N-dimethylaniline has a molecular weight of 402.54 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methoxy-3-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N,N-dimethylaniline is sourced from PubChem (CID 53232375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).