4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile

C28H24FN3O3 — CID 66806467

IUPAC4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile
SMILESCOc1ccc(CNCc2cc(C#N)nc(-c3ccc(Oc4ccc(F)cc4)cc3)c2)c(OC)c1
InChIInChI=1S/C28H24FN3O3/c1-33-26-10-5-21(28(15-26)34-2)18-31-17-19-13-23(16-30)32-27(14-19)20-3-8-24(9-4-20)35-25-11-6-22(29)7-12-25/h3-15,31H,17-18H2,1-2H3
InChIKeyOHPXESUSYXTFGX-UHFFFAOYSA-N
MW469.52 g/mol
LogP5.86
Rot. Bonds9

About 4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile

4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile (PubChem CID 66806467) has the molecular formula C28H24FN3O3 and a molecular weight of 469.52 g/mol. Its IUPAC name is 4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile
PubChem CID66806467
Molecular FormulaC28H24FN3O3
Molecular Weight469.52 g/mol
Exact Mass469.18
IUPAC Name4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile
SMILESCOc1ccc(CNCc2cc(C#N)nc(-c3ccc(Oc4ccc(F)cc4)cc3)c2)c(OC)c1
InChIInChI=1S/C28H24FN3O3/c1-33-26-10-5-21(28(15-26)34-2)18-31-17-19-13-23(16-30)32-27(14-19)20-3-8-24(9-4-20)35-25-11-6-22(29)7-12-25/h3-15,31H,17-18H2,1-2H3
InChIKeyOHPXESUSYXTFGX-UHFFFAOYSA-N
XLogP5.86
TPSA76.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.52
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(2,4-dimethoxyphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63880762
dimethylphosphinous acid;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carbonitrile;6-[4-(4-fluorophenoxy)phenyl]-4-propylpyridine-2-carboxamide;methylphosphonoylmethane;platinum monohydride;tris(sulfur dioxide)
CID 157153266
6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carbonitrile
CID 66799765
1-(2,4-dimethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47020695
1-(2,4-dimethoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 115967968
3-[(2,4-dimethoxyphenyl)methylamino]propanenitrile
CID 28728146
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572
1-(3-chloro-4-fluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine
CID 62537275
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxy-4-methylphenyl)methanamine
CID 122598505
2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 73211515
3-fluoro-4-[[(4-methoxyphenyl)methylamino]methyl]benzonitrile
CID 28575352
N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110780743

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile (CID 66806467) is 4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile is COc1ccc(CNCc2cc(C#N)nc(-c3ccc(Oc4ccc(F)cc4)cc3)c2)c(OC)c1.
What is the InChIKey of 4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile?
The InChIKey is OHPXESUSYXTFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O3/c1-33-26-10-5-21(28(15-26)34-2)18-31-17-19-13-23(16-30)32-27(14-19)20-3-8-24(9-4-20)35-25-11-6-22(29)7-12-25/h3-15,31H,17-18H2,1-2H3.
What are the key properties of 4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile?
4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile has a molecular weight of 469.52 g/mol, XLogP of 5.86, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 66806467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).