6-chloro-4-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine

C13H20ClN3 — CID 114256226

IUPAC6-chloro-4-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine
SMILESCc1cc(Cl)ncc1NCC1CCCN(C)C1
InChIInChI=1S/C13H20ClN3/c1-10-6-13(14)16-8-12(10)15-7-11-4-3-5-17(2)9-11/h6,8,11,15H,3-5,7,9H2,1-2H3
InChIKeySLXHWUUGGZLMBZ-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.80
Rot. Bonds3

About 6-chloro-4-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine

6-chloro-4-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine (PubChem CID 114256226) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 6-chloro-4-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-4-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine
PubChem CID114256226
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name6-chloro-4-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine
SMILESCc1cc(Cl)ncc1NCC1CCCN(C)C1
InChIInChI=1S/C13H20ClN3/c1-10-6-13(14)16-8-12(10)15-7-11-4-3-5-17(2)9-11/h6,8,11,15H,3-5,7,9H2,1-2H3
InChIKeySLXHWUUGGZLMBZ-UHFFFAOYSA-N
XLogP2.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-4-methyl-N-[(1-methylpiperidin-3-yl)methyl]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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-chloro-4-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine (CID 114256226) is 6-chloro-4-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-chloro-4-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-chloro-4-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine is Cc1cc(Cl)ncc1NCC1CCCN(C)C1.
What is the InChIKey of 6-chloro-4-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine?
The InChIKey is SLXHWUUGGZLMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-10-6-13(14)16-8-12(10)15-7-11-4-3-5-17(2)9-11/h6,8,11,15H,3-5,7,9H2,1-2H3.
What are the key properties of 6-chloro-4-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine?
6-chloro-4-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine has a molecular weight of 253.78 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 114256226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).