3,5-dichloro-6-N-methyl-6-N-(4-methylphenyl)-2-N-propylpyridine-2,6-diamine

C16H19Cl2N3 — CID 102757734

IUPAC3,5-dichloro-6-N-methyl-6-N-(4-methylphenyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(N(C)c2ccc(C)cc2)c(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2N3/c1-4-9-19-15-13(17)10-14(18)16(20-15)21(3)12-7-5-11(2)6-8-12/h5-8,10H,4,9H2,1-3H3,(H,19,20)
InChIKeyNCIRTWCFDDDTJW-UHFFFAOYSA-N
MW324.26 g/mol
LogP5.29
Rot. Bonds5

About 3,5-dichloro-6-N-methyl-6-N-(4-methylphenyl)-2-N-propylpyridine-2,6-diamine

3,5-dichloro-6-N-methyl-6-N-(4-methylphenyl)-2-N-propylpyridine-2,6-diamine (PubChem CID 102757734) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 3,5-dichloro-6-N-methyl-6-N-(4-methylphenyl)-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-methyl-6-N-(4-methylphenyl)-2-N-propylpyridine-2,6-diamine
PubChem CID102757734
Molecular FormulaC16H19Cl2N3
Molecular Weight324.26 g/mol
Exact Mass323.10
IUPAC Name3,5-dichloro-6-N-methyl-6-N-(4-methylphenyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(N(C)c2ccc(C)cc2)c(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2N3/c1-4-9-19-15-13(17)10-14(18)16(20-15)21(3)12-7-5-11(2)6-8-12/h5-8,10H,4,9H2,1-3H3,(H,19,20)
InChIKeyNCIRTWCFDDDTJW-UHFFFAOYSA-N
XLogP5.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.26
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-6-N-methyl-6-N-[(5-methylfuran-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 102756059
3,5-dichloro-6-N-methyl-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine
CID 102756278
6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102754456
3,5-dichloro-6-N-(2,4-dimethylphenyl)-2-N-propylpyridine-2,6-diamine
CID 102755080
3,5-dichloro-6-N-methyl-6-N-(4-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,6-diamine
CID 102760077
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]-2-methylpropanenitrile
CID 102757278
3,5-dichloro-6-N-cyclopropyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 102755827
3,5-dichloro-6-N-[2-[ethyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102757950
3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine
CID 102759419
3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102758066
3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine
CID 102757675
1-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 102760184

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-methyl-6-N-(4-methylphenyl)-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-methyl-6-N-(4-methylphenyl)-2-N-propylpyridine-2,6-diamine (CID 102757734) is 3,5-dichloro-6-N-methyl-6-N-(4-methylphenyl)-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-methyl-6-N-(4-methylphenyl)-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-methyl-6-N-(4-methylphenyl)-2-N-propylpyridine-2,6-diamine is CCCNc1nc(N(C)c2ccc(C)cc2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-methyl-6-N-(4-methylphenyl)-2-N-propylpyridine-2,6-diamine?
The InChIKey is NCIRTWCFDDDTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-4-9-19-15-13(17)10-14(18)16(20-15)21(3)12-7-5-11(2)6-8-12/h5-8,10H,4,9H2,1-3H3,(H,19,20).
What are the key properties of 3,5-dichloro-6-N-methyl-6-N-(4-methylphenyl)-2-N-propylpyridine-2,6-diamine?
3,5-dichloro-6-N-methyl-6-N-(4-methylphenyl)-2-N-propylpyridine-2,6-diamine has a molecular weight of 324.26 g/mol, XLogP of 5.29, 5 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-methyl-6-N-(4-methylphenyl)-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 102757734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).