3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine

C12H18Cl2N4 — CID 102757522

IUPAC3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine
SMILESCN1CCCC(CNc2nc(N)c(Cl)cc2Cl)C1
InChIInChI=1S/C12H18Cl2N4/c1-18-4-2-3-8(7-18)6-16-12-10(14)5-9(13)11(15)17-12/h5,8H,2-4,6-7H2,1H3,(H3,15,16,17)
InChIKeyIANGYFHQEIXNPP-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.72
Rot. Bonds3

About 3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine

3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine (PubChem CID 102757522) has the molecular formula C12H18Cl2N4 and a molecular weight of 289.21 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine
PubChem CID102757522
Molecular FormulaC12H18Cl2N4
Molecular Weight289.21 g/mol
Exact Mass288.09
IUPAC Name3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine
SMILESCN1CCCC(CNc2nc(N)c(Cl)cc2Cl)C1
InChIInChI=1S/C12H18Cl2N4/c1-18-4-2-3-8(7-18)6-16-12-10(14)5-9(13)11(15)17-12/h5,8H,2-4,6-7H2,1H3,(H3,15,16,17)
InChIKeyIANGYFHQEIXNPP-UHFFFAOYSA-N
XLogP2.72
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine 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

3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
CID 102750847
2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 79632916
5-chloro-2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 80903527
5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 105369328
6-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
CID 81132211
3,6-dichloro-N-[(1-methylpiperidin-3-yl)methyl]-1,2,4-triazin-5-amine
CID 81035942
5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
CID 66279532
3-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,5-diamine
CID 55080788
5-amino-3-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 107195432
[2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 102758815
2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 102758635
6-methoxy-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
CID 113286507

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine (CID 102757522) is 3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine is CN1CCCC(CNc2nc(N)c(Cl)cc2Cl)C1.
What is the InChIKey of 3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine?
The InChIKey is IANGYFHQEIXNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N4/c1-18-4-2-3-8(7-18)6-16-12-10(14)5-9(13)11(15)17-12/h5,8H,2-4,6-7H2,1H3,(H3,15,16,17).
What are the key properties of 3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine?
3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine has a molecular weight of 289.21 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 102757522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).