3,5-dichloro-6-N-[1-(4-chlorophenyl)ethyl]-2-N,6-N-dimethylpyridine-2,6-diamine

C15H16Cl3N3 — CID 102758070

IUPAC3,5-dichloro-6-N-[1-(4-chlorophenyl)ethyl]-2-N,6-N-dimethylpyridine-2,6-diamine
SMILESCNc1nc(N(C)C(C)c2ccc(Cl)cc2)c(Cl)cc1Cl
InChIInChI=1S/C15H16Cl3N3/c1-9(10-4-6-11(16)7-5-10)21(3)15-13(18)8-12(17)14(19-2)20-15/h4-9H,1-3H3,(H,19,20)
InChIKeyZCCSPPLSCVZSGO-UHFFFAOYSA-N
MW344.67 g/mol
LogP5.28
Rot. Bonds4

About 3,5-dichloro-6-N-[1-(4-chlorophenyl)ethyl]-2-N,6-N-dimethylpyridine-2,6-diamine

3,5-dichloro-6-N-[1-(4-chlorophenyl)ethyl]-2-N,6-N-dimethylpyridine-2,6-diamine (PubChem CID 102758070) has the molecular formula C15H16Cl3N3 and a molecular weight of 344.67 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[1-(4-chlorophenyl)ethyl]-2-N,6-N-dimethylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[1-(4-chlorophenyl)ethyl]-2-N,6-N-dimethylpyridine-2,6-diamine
PubChem CID102758070
Molecular FormulaC15H16Cl3N3
Molecular Weight344.67 g/mol
Exact Mass343.04
IUPAC Name3,5-dichloro-6-N-[1-(4-chlorophenyl)ethyl]-2-N,6-N-dimethylpyridine-2,6-diamine
SMILESCNc1nc(N(C)C(C)c2ccc(Cl)cc2)c(Cl)cc1Cl
InChIInChI=1S/C15H16Cl3N3/c1-9(10-4-6-11(16)7-5-10)21(3)15-13(18)8-12(17)14(19-2)20-15/h4-9H,1-3H3,(H,19,20)
InChIKeyZCCSPPLSCVZSGO-UHFFFAOYSA-N
XLogP5.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.67
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]propan-1-ol
CID 102759773
3,5-dichloro-2-N,6-N-dimethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine
CID 102755864
3,5-dichloro-2-N-methyl-6-N,6-N-bis(3-methylbutyl)pyridine-2,6-diamine
CID 107871755
[5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
CID 62978853
3-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
CID 130297463
5-chloro-4-N-[1-(3-chlorophenyl)ethyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80823025
3,5-dichloro-2-N-ethyl-6-N-methyl-6-N-propan-2-ylpyridine-2,6-diamine
CID 102755335
3,5-dichloro-6-N-[(2-fluorophenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine
CID 102756516
3,5-dichloro-6-N-cyclopentyl-2-N-methyl-6-N-(3-methylbutyl)pyridine-2,6-diamine
CID 102759062
6-N-butan-2-yl-6-N-butyl-3,5-dichloro-2-N-methylpyridine-2,6-diamine
CID 102757349
3-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
CID 62979984
3,5-dichloro-6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine
CID 102757406

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[1-(4-chlorophenyl)ethyl]-2-N,6-N-dimethylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[1-(4-chlorophenyl)ethyl]-2-N,6-N-dimethylpyridine-2,6-diamine (CID 102758070) is 3,5-dichloro-6-N-[1-(4-chlorophenyl)ethyl]-2-N,6-N-dimethylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[1-(4-chlorophenyl)ethyl]-2-N,6-N-dimethylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[1-(4-chlorophenyl)ethyl]-2-N,6-N-dimethylpyridine-2,6-diamine is CNc1nc(N(C)C(C)c2ccc(Cl)cc2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-[1-(4-chlorophenyl)ethyl]-2-N,6-N-dimethylpyridine-2,6-diamine?
The InChIKey is ZCCSPPLSCVZSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl3N3/c1-9(10-4-6-11(16)7-5-10)21(3)15-13(18)8-12(17)14(19-2)20-15/h4-9H,1-3H3,(H,19,20).
What are the key properties of 3,5-dichloro-6-N-[1-(4-chlorophenyl)ethyl]-2-N,6-N-dimethylpyridine-2,6-diamine?
3,5-dichloro-6-N-[1-(4-chlorophenyl)ethyl]-2-N,6-N-dimethylpyridine-2,6-diamine has a molecular weight of 344.67 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-[1-(4-chlorophenyl)ethyl]-2-N,6-N-dimethylpyridine-2,6-diamine is sourced from PubChem (CID 102758070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).