2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine

C13H21ClN4 — CID 11219398

IUPAC2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine
SMILESCN1CCN(CCCNc2cccnc2Cl)CC1
InChIInChI=1S/C13H21ClN4/c1-17-8-10-18(11-9-17)7-3-6-15-12-4-2-5-16-13(12)14/h2,4-5,15H,3,6-11H2,1H3
InChIKeyVJSRDPKUDKEOOV-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.78
Rot. Bonds5

About 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine

2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine (PubChem CID 11219398) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine
PubChem CID11219398
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine
SMILESCN1CCN(CCCNc2cccnc2Cl)CC1
InChIInChI=1S/C13H21ClN4/c1-17-8-10-18(11-9-17)7-3-6-15-12-4-2-5-16-13(12)14/h2,4-5,15H,3,6-11H2,1H3
InChIKeyVJSRDPKUDKEOOV-UHFFFAOYSA-N
XLogP1.78
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-[3-(4-methylpiperazin-1-yl)propylamino]phenyl]sulfanylaniline
CID 10601342
2,3-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 79016629
N-(2-chloro-3-pyridinyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108517054
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine
CID 114598691
[(2-chloro-3-pyridinyl)amino]methanol;ethane
CID 158340560
5-chloro-2-(4-chlorophenyl)sulfanyl-N-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 25172586
N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitropyridin-4-amine
CID 134098351
2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
CID 43415001
3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-b]pyridine
CID 117166301
2-chloro-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
CID 83013823
N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 60667125
5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine
CID 62991925

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine?
The IUPAC name of 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine (CID 11219398) is 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine?
The canonical SMILES for 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine is CN1CCN(CCCNc2cccnc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine?
The InChIKey is VJSRDPKUDKEOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-17-8-10-18(11-9-17)7-3-6-15-12-4-2-5-16-13(12)14/h2,4-5,15H,3,6-11H2,1H3.
What are the key properties of 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine?
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine has a molecular weight of 268.79 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine is sourced from PubChem (CID 11219398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).