N,N-dimethyl-3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]aniline

C18H24N4 — CID 25216821

IUPACN,N-dimethyl-3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]aniline
SMILESCN1CCN(c2ccnc(-c3cccc(N(C)C)c3)c2)CC1
InChIInChI=1S/C18H24N4/c1-20(2)16-6-4-5-15(13-16)18-14-17(7-8-19-18)22-11-9-21(3)10-12-22/h4-8,13-14H,9-12H2,1-3H3
InChIKeyCFRBNVJEULCIQL-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.57
Rot. Bonds3

About N,N-dimethyl-3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]aniline

N,N-dimethyl-3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]aniline (PubChem CID 25216821) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]aniline
PubChem CID25216821
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN,N-dimethyl-3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]aniline
SMILESCN1CCN(c2ccnc(-c3cccc(N(C)C)c3)c2)CC1
InChIInChI=1S/C18H24N4/c1-20(2)16-6-4-5-15(13-16)18-14-17(7-8-19-18)22-11-9-21(3)10-12-22/h4-8,13-14H,9-12H2,1-3H3
InChIKeyCFRBNVJEULCIQL-UHFFFAOYSA-N
XLogP2.57
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]aniline 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 N,N-dimethyl-3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]aniline?
The IUPAC name of N,N-dimethyl-3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]aniline (CID 25216821) is N,N-dimethyl-3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]aniline?
The canonical SMILES for N,N-dimethyl-3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]aniline is CN1CCN(c2ccnc(-c3cccc(N(C)C)c3)c2)CC1.
What is the InChIKey of N,N-dimethyl-3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]aniline?
The InChIKey is CFRBNVJEULCIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-20(2)16-6-4-5-15(13-16)18-14-17(7-8-19-18)22-11-9-21(3)10-12-22/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]aniline?
N,N-dimethyl-3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]aniline has a molecular weight of 296.42 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]aniline is sourced from PubChem (CID 25216821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).