4-[2-(3,5-difluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile

C16H15F2N3 — CID 81060343

IUPAC4-[2-(3,5-difluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCCc2cc(F)cc(F)c2)c(C#N)c(C)n1
InChIInChI=1S/C16H15F2N3/c1-10-5-16(15(9-19)11(2)21-10)20-4-3-12-6-13(17)8-14(18)7-12/h5-8H,3-4H2,1-2H3,(H,20,21)
InChIKeyHEXZBSBVRAESTA-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.50
Rot. Bonds4

About 4-[2-(3,5-difluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile

4-[2-(3,5-difluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81060343) has the molecular formula C16H15F2N3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 4-[2-(3,5-difluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(3,5-difluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81060343
Molecular FormulaC16H15F2N3
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name4-[2-(3,5-difluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCCc2cc(F)cc(F)c2)c(C#N)c(C)n1
InChIInChI=1S/C16H15F2N3/c1-10-5-16(15(9-19)11(2)21-10)20-4-3-12-6-13(17)8-14(18)7-12/h5-8H,3-4H2,1-2H3,(H,20,21)
InChIKeyHEXZBSBVRAESTA-UHFFFAOYSA-N
XLogP3.50
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-difluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[2-(3,5-difluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile (CID 81060343) is 4-[2-(3,5-difluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-(3,5-difluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[2-(3,5-difluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(NCCc2cc(F)cc(F)c2)c(C#N)c(C)n1.
What is the InChIKey of 4-[2-(3,5-difluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is HEXZBSBVRAESTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3/c1-10-5-16(15(9-19)11(2)21-10)20-4-3-12-6-13(17)8-14(18)7-12/h5-8H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 4-[2-(3,5-difluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile?
4-[2-(3,5-difluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 287.31 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-difluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81060343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).