2-[2-(2,4-dichlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile

C16H15Cl2N3 — CID 43395438

IUPAC2-[2-(2,4-dichlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H15Cl2N3/c1-10-7-11(2)21-16(14(10)9-19)20-6-5-12-3-4-13(17)8-15(12)18/h3-4,7-8H,5-6H2,1-2H3,(H,20,21)
InChIKeyKCKMJDXBRRBOPD-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.53
Rot. Bonds4

About 2-[2-(2,4-dichlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile

2-[2-(2,4-dichlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 43395438) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID43395438
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC Name2-[2-(2,4-dichlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H15Cl2N3/c1-10-7-11(2)21-16(14(10)9-19)20-6-5-12-3-4-13(17)8-15(12)18/h3-4,7-8H,5-6H2,1-2H3,(H,20,21)
InChIKeyKCKMJDXBRRBOPD-UHFFFAOYSA-N
XLogP4.53
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile (CID 43395438) is 2-[2-(2,4-dichlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NCCc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is KCKMJDXBRRBOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c1-10-7-11(2)21-16(14(10)9-19)20-6-5-12-3-4-13(17)8-15(12)18/h3-4,7-8H,5-6H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-(2,4-dichlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile?
2-[2-(2,4-dichlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 320.22 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 43395438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).