3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]benzonitrile

C15H14Cl2N4 — CID 102758060

IUPAC3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]benzonitrile
SMILESCCNc1nc(N(C)c2cccc(C#N)c2)c(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N4/c1-3-19-14-12(16)8-13(17)15(20-14)21(2)11-6-4-5-10(7-11)9-18/h4-8H,3H2,1-2H3,(H,19,20)
InChIKeyHSSNBCNUBWTLIU-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.46
Rot. Bonds4

About 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]benzonitrile

3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]benzonitrile (PubChem CID 102758060) has the molecular formula C15H14Cl2N4 and a molecular weight of 321.21 g/mol. Its IUPAC name is 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]benzonitrile.

Molecular Properties

Compound Name3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]benzonitrile
PubChem CID102758060
Molecular FormulaC15H14Cl2N4
Molecular Weight321.21 g/mol
Exact Mass320.06
IUPAC Name3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]benzonitrile
SMILESCCNc1nc(N(C)c2cccc(C#N)c2)c(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N4/c1-3-19-14-12(16)8-13(17)15(20-14)21(2)11-6-4-5-10(7-11)9-18/h4-8H,3H2,1-2H3,(H,19,20)
InChIKeyHSSNBCNUBWTLIU-UHFFFAOYSA-N
XLogP4.46
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile
CID 80824345
3,5-dichloro-2-N-ethyl-6-N-methyl-6-N-propan-2-ylpyridine-2,6-diamine
CID 102755335
3-[3-chloro-2-(chloromethyl)-N-methylanilino]benzonitrile
CID 63567830
3-bromo-4-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile
CID 107795168
3-chloro-4-(3-cyano-N-methylanilino)benzonitrile
CID 63094271
3-(4-ethyl-N-methylanilino)benzonitrile
CID 102816090
3,5-dichloro-6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine
CID 102757406
2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile
CID 83076502
3,5-dichloro-6-N-methyl-6-N-(4-methylphenyl)-2-N-propylpyridine-2,6-diamine
CID 102757734
3-[methyl(naphthalen-1-yl)amino]benzonitrile
CID 70645311
3,5-dichloro-6-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyridin-2-amine
CID 102761928
3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]benzonitrile
CID 62983235

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]benzonitrile?
The IUPAC name of 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]benzonitrile (CID 102758060) is 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]benzonitrile.
What is the SMILES notation for 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]benzonitrile?
The canonical SMILES for 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]benzonitrile is CCNc1nc(N(C)c2cccc(C#N)c2)c(Cl)cc1Cl.
What is the InChIKey of 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]benzonitrile?
The InChIKey is HSSNBCNUBWTLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4/c1-3-19-14-12(16)8-13(17)15(20-14)21(2)11-6-4-5-10(7-11)9-18/h4-8H,3H2,1-2H3,(H,19,20).
What are the key properties of 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]benzonitrile?
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]benzonitrile has a molecular weight of 321.21 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]benzonitrile is sourced from PubChem (CID 102758060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).