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

C15H14FN3 — CID 81042801

IUPAC4-[(4-fluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCc2ccc(F)cc2)c(C#N)c(C)n1
InChIInChI=1S/C15H14FN3/c1-10-7-15(14(8-17)11(2)19-10)18-9-12-3-5-13(16)6-4-12/h3-7H,9H2,1-2H3,(H,18,19)
InChIKeyMBCPEEXJCYPSIM-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.32
Rot. Bonds3

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

4-[(4-fluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81042801) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81042801
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name4-[(4-fluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCc2ccc(F)cc2)c(C#N)c(C)n1
InChIInChI=1S/C15H14FN3/c1-10-7-15(14(8-17)11(2)19-10)18-9-12-3-5-13(16)6-4-12/h3-7H,9H2,1-2H3,(H,18,19)
InChIKeyMBCPEEXJCYPSIM-UHFFFAOYSA-N
XLogP3.32
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[(4-fluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile (CID 81042801) is 4-[(4-fluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[(4-fluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[(4-fluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(NCc2ccc(F)cc2)c(C#N)c(C)n1.
What is the InChIKey of 4-[(4-fluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is MBCPEEXJCYPSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c1-10-7-15(14(8-17)11(2)19-10)18-9-12-3-5-13(16)6-4-12/h3-7H,9H2,1-2H3,(H,18,19).
What are the key properties of 4-[(4-fluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile?
4-[(4-fluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 255.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81042801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).