3,5-dichloro-6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine

C13H21Cl2N3O — CID 102760859

IUPAC3,5-dichloro-6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine
SMILESCCCNc1nc(OCCCN(C)C)c(Cl)cc1Cl
InChIInChI=1S/C13H21Cl2N3O/c1-4-6-16-12-10(14)9-11(15)13(17-12)19-8-5-7-18(2)3/h9H,4-8H2,1-3H3,(H,16,17)
InChIKeyUHLZKQPCAVHLHC-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.54
Rot. Bonds8

About 3,5-dichloro-6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine

3,5-dichloro-6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine (PubChem CID 102760859) has the molecular formula C13H21Cl2N3O and a molecular weight of 306.24 g/mol. Its IUPAC name is 3,5-dichloro-6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine
PubChem CID102760859
Molecular FormulaC13H21Cl2N3O
Molecular Weight306.24 g/mol
Exact Mass305.11
IUPAC Name3,5-dichloro-6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine
SMILESCCCNc1nc(OCCCN(C)C)c(Cl)cc1Cl
InChIInChI=1S/C13H21Cl2N3O/c1-4-6-16-12-10(14)9-11(15)13(17-12)19-8-5-7-18(2)3/h9H,4-8H2,1-3H3,(H,16,17)
InChIKeyUHLZKQPCAVHLHC-UHFFFAOYSA-N
XLogP3.54
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-dichloro-6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-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

3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine
CID 102757675
3,5-dichloro-6-[3-(2-methoxyethoxy)propoxy]-N-propylpyridin-2-amine
CID 103408318
3,5-dichloro-6-(2-cyclopropylethoxy)-N-propylpyridin-2-amine
CID 106207557
3,5-dichloro-N-propyl-6-(2-thiophen-2-ylethoxy)pyridin-2-amine
CID 102760896
3,5-dichloro-6-(2-methylpentoxy)-N-propylpyridin-2-amine
CID 103286396
3,5-dichloro-6-[(4-chlorophenyl)methoxy]-N-propylpyridin-2-amine
CID 102761015
3,5-dichloro-6-N-[2-[ethyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102757950
6-butoxy-3,5-dichloro-N-methylpyridin-2-amine
CID 102760529
6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102754456
6-(2-butoxyethoxy)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102760364
3,5-dichloro-6-(3-methylbutan-2-yloxy)-N-propylpyridin-2-amine
CID 102761074
(3,5-dichloro-6-pentoxy-2-pyridinyl)hydrazine
CID 102762767

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine (CID 102760859) is 3,5-dichloro-6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine is CCCNc1nc(OCCCN(C)C)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine?
The InChIKey is UHLZKQPCAVHLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21Cl2N3O/c1-4-6-16-12-10(14)9-11(15)13(17-12)19-8-5-7-18(2)3/h9H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 3,5-dichloro-6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine?
3,5-dichloro-6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine has a molecular weight of 306.24 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine is sourced from PubChem (CID 102760859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).