6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyridin-2-amine

C29H19F4N3O — CID 159281809

IUPAC6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyridin-2-amine
SMILESCOc1ccc(N(c2cccc(-c3ccc(F)cc3F)n2)c2cccc(-c3ccc(F)cc3F)n2)cc1
InChIInChI=1S/C29H19F4N3O/c1-37-21-12-10-20(11-13-21)36(28-6-2-4-26(34-28)22-14-8-18(30)16-24(22)32)29-7-3-5-27(35-29)23-15-9-19(31)17-25(23)33/h2-17H,1H3
InChIKeyKYZUOWROXAQWFL-UHFFFAOYSA-N
MW501.48 g/mol
LogP7.85
Rot. Bonds6

About 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyridin-2-amine

6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyridin-2-amine (PubChem CID 159281809) has the molecular formula C29H19F4N3O and a molecular weight of 501.48 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyridin-2-amine
PubChem CID159281809
Molecular FormulaC29H19F4N3O
Molecular Weight501.48 g/mol
Exact Mass501.15
IUPAC Name6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyridin-2-amine
SMILESCOc1ccc(N(c2cccc(-c3ccc(F)cc3F)n2)c2cccc(-c3ccc(F)cc3F)n2)cc1
InChIInChI=1S/C29H19F4N3O/c1-37-21-12-10-20(11-13-21)36(28-6-2-4-26(34-28)22-14-8-18(30)16-24(22)32)29-7-3-5-27(35-29)23-15-9-19(31)17-25(23)33/h2-17H,1H3
InChIKeyKYZUOWROXAQWFL-UHFFFAOYSA-N
XLogP7.85
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.48
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyridin-2-amine?
The IUPAC name of 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyridin-2-amine (CID 159281809) is 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyridin-2-amine?
The canonical SMILES for 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyridin-2-amine is COc1ccc(N(c2cccc(-c3ccc(F)cc3F)n2)c2cccc(-c3ccc(F)cc3F)n2)cc1.
What is the InChIKey of 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyridin-2-amine?
The InChIKey is KYZUOWROXAQWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19F4N3O/c1-37-21-12-10-20(11-13-21)36(28-6-2-4-26(34-28)22-14-8-18(30)16-24(22)32)29-7-3-5-27(35-29)23-15-9-19(31)17-25(23)33/h2-17H,1H3.
What are the key properties of 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyridin-2-amine?
6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyridin-2-amine has a molecular weight of 501.48 g/mol, XLogP of 7.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 159281809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).