4-[(3,4-difluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile

C16H15F2N3 — CID 133396641

IUPAC4-[(3,4-difluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N(C)Cc2ccc(F)c(F)c2)c(C#N)c(C)n1
InChIInChI=1S/C16H15F2N3/c1-10-6-16(13(8-19)11(2)20-10)21(3)9-12-4-5-14(17)15(18)7-12/h4-7H,9H2,1-3H3
InChIKeyRRIVURUGHCGENL-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.48
Rot. Bonds3

About 4-[(3,4-difluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile

4-[(3,4-difluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 133396641) has the molecular formula C16H15F2N3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(3,4-difluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID133396641
Molecular FormulaC16H15F2N3
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name4-[(3,4-difluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N(C)Cc2ccc(F)c(F)c2)c(C#N)c(C)n1
InChIInChI=1S/C16H15F2N3/c1-10-6-16(13(8-19)11(2)20-10)21(3)9-12-4-5-14(17)15(18)7-12/h4-7H,9H2,1-3H3
InChIKeyRRIVURUGHCGENL-UHFFFAOYSA-N
XLogP3.48
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[(3,4-difluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile (CID 133396641) is 4-[(3,4-difluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[(3,4-difluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[(3,4-difluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(N(C)Cc2ccc(F)c(F)c2)c(C#N)c(C)n1.
What is the InChIKey of 4-[(3,4-difluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is RRIVURUGHCGENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3/c1-10-6-16(13(8-19)11(2)20-10)21(3)9-12-4-5-14(17)15(18)7-12/h4-7H,9H2,1-3H3.
What are the key properties of 4-[(3,4-difluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile?
4-[(3,4-difluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 287.31 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 133396641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).