5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine

C20H19FN2O3 — CID 126673167

IUPAC5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine
SMILESCOc1cc(-c2cc(-c3ccc(F)cc3)cnc2N)cc(OC)c1OC
InChIInChI=1S/C20H19FN2O3/c1-24-17-9-13(10-18(25-2)19(17)26-3)16-8-14(11-23-20(16)22)12-4-6-15(21)7-5-12/h4-11H,1-3H3,(H2,22,23)
InChIKeyPDZIVXVNXDMVSU-UHFFFAOYSA-N
MW354.38 g/mol
LogP4.16
Rot. Bonds5

About 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine

5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine (PubChem CID 126673167) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine
PubChem CID126673167
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine
SMILESCOc1cc(-c2cc(-c3ccc(F)cc3)cnc2N)cc(OC)c1OC
InChIInChI=1S/C20H19FN2O3/c1-24-17-9-13(10-18(25-2)19(17)26-3)16-8-14(11-23-20(16)22)12-4-6-15(21)7-5-12/h4-11H,1-3H3,(H2,22,23)
InChIKeyPDZIVXVNXDMVSU-UHFFFAOYSA-N
XLogP4.16
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluoro-4,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 162663760
5-(4-fluorophenyl)-1,2,3-trimethoxybenzene
CID 45156545
3-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol
CID 126672824
3-[3-(4-fluorophenyl)-4,5-dimethoxyphenyl]quinoline
CID 67997706
3-(5-amino-3-fluoro-2-pyridinyl)-5-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 129110698
5-fluoro-2-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]aniline
CID 155516484
3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide
CID 126672906
5-(4-fluorophenyl)-4-methoxypyridin-2-amine
CID 171390992
3-(4-fluorophenyl)-5-methylpyridin-2-amine;hydrochloride
CID 69015794
3-(2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 155555120
3-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 71461082
3-[3-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
CID 118709553

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine (CID 126673167) is 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine is COc1cc(-c2cc(-c3ccc(F)cc3)cnc2N)cc(OC)c1OC.
What is the InChIKey of 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The InChIKey is PDZIVXVNXDMVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-24-17-9-13(10-18(25-2)19(17)26-3)16-8-14(11-23-20(16)22)12-4-6-15(21)7-5-12/h4-11H,1-3H3,(H2,22,23).
What are the key properties of 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine has a molecular weight of 354.38 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 126673167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).