2-amino-4-(3,4-difluorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile

C20H15F2N3O — CID 5241532

IUPAC2-amino-4-(3,4-difluorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(-c3ccc(F)c(F)c3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C20H15F2N3O/c1-2-26-14-6-3-12(4-7-14)19-10-15(16(11-23)20(24)25-19)13-5-8-17(21)18(22)9-13/h3-10H,2H2,1H3,(H2,24,25)
InChIKeyLITMDEUAAPZJTL-UHFFFAOYSA-N
MW351.36 g/mol
LogP4.55
Rot. Bonds4

About 2-amino-4-(3,4-difluorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile

2-amino-4-(3,4-difluorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 5241532) has the molecular formula C20H15F2N3O and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-amino-4-(3,4-difluorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3,4-difluorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
PubChem CID5241532
Molecular FormulaC20H15F2N3O
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name2-amino-4-(3,4-difluorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(-c3ccc(F)c(F)c3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C20H15F2N3O/c1-2-26-14-6-3-12(4-7-14)19-10-15(16(11-23)20(24)25-19)13-5-8-17(21)18(22)9-13/h3-10H,2H2,1H3,(H2,24,25)
InChIKeyLITMDEUAAPZJTL-UHFFFAOYSA-N
XLogP4.55
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-difluorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3,4-difluorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile (CID 5241532) is 2-amino-4-(3,4-difluorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3,4-difluorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3,4-difluorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile is CCOc1ccc(-c2cc(-c3ccc(F)c(F)c3)c(C#N)c(N)n2)cc1.
What is the InChIKey of 2-amino-4-(3,4-difluorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is LITMDEUAAPZJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O/c1-2-26-14-6-3-12(4-7-14)19-10-15(16(11-23)20(24)25-19)13-5-8-17(21)18(22)9-13/h3-10H,2H2,1H3,(H2,24,25).
What are the key properties of 2-amino-4-(3,4-difluorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile?
2-amino-4-(3,4-difluorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 351.36 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-difluorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5241532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).