2-amino-6-(2-fluorophenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile

C21H18FN3O3 — CID 5119568

IUPAC2-amino-6-(2-fluorophenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cc(OC)c(-c2cc(-c3ccccc3F)nc(N)c2C#N)c(OC)c1
InChIInChI=1S/C21H18FN3O3/c1-26-12-8-18(27-2)20(19(9-12)28-3)14-10-17(25-21(24)15(14)11-23)13-6-4-5-7-16(13)22/h4-10H,1-3H3,(H2,24,25)
InChIKeyAOMWUERFCRNBIG-UHFFFAOYSA-N
MW379.39 g/mol
LogP4.03
Rot. Bonds5

About 2-amino-6-(2-fluorophenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile

2-amino-6-(2-fluorophenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 5119568) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is 2-amino-6-(2-fluorophenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-fluorophenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile
PubChem CID5119568
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name2-amino-6-(2-fluorophenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cc(OC)c(-c2cc(-c3ccccc3F)nc(N)c2C#N)c(OC)c1
InChIInChI=1S/C21H18FN3O3/c1-26-12-8-18(27-2)20(19(9-12)28-3)14-10-17(25-21(24)15(14)11-23)13-6-4-5-7-16(13)22/h4-10H,1-3H3,(H2,24,25)
InChIKeyAOMWUERFCRNBIG-UHFFFAOYSA-N
XLogP4.03
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-(4-methoxyphenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3375509
2-amino-6-(2-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119022
2-amino-6-(2-fluorophenyl)-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5119728
2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile
CID 135496405
2-amino-4-(2-chlorophenyl)-6-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 4636440
2-amino-4-(5-bromothiophen-2-yl)-6-(2-fluorophenyl)pyridine-3-carbonitrile
CID 5119571
2-amino-4-(furan-2-yl)-6-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 5153770
2-amino-4-(2,6-dichlorophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3557233
2-amino-6-(2,5-dimethoxyphenyl)-4-(3-fluorophenyl)pyridine-3-carbonitrile
CID 3548331
2-amino-6-(2-fluorophenyl)-4-(3-hydroxy-4-phenoxyphenyl)pyridine-3-carbonitrile
CID 134824342
2-amino-6-(4-methoxyphenyl)-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile
CID 3371344
2-amino-6-(3-fluorophenyl)-4-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 5118237

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-fluorophenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-fluorophenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile (CID 5119568) is 2-amino-6-(2-fluorophenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-fluorophenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-fluorophenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile is COc1cc(OC)c(-c2cc(-c3ccccc3F)nc(N)c2C#N)c(OC)c1.
What is the InChIKey of 2-amino-6-(2-fluorophenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is AOMWUERFCRNBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c1-26-12-8-18(27-2)20(19(9-12)28-3)14-10-17(25-21(24)15(14)11-23)13-6-4-5-7-16(13)22/h4-10H,1-3H3,(H2,24,25).
What are the key properties of 2-amino-6-(2-fluorophenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(2-fluorophenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 379.39 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-fluorophenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5119568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).