3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperidin-4-ylphenyl)pyridin-2-amine

C24H25ClFN3O — CID 146185140

IUPAC3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperidin-4-ylphenyl)pyridin-2-amine
SMILESCC(Oc1cc(-c2ccc(C3CCNCC3)cc2)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C24H25ClFN3O/c1-15(21-13-20(26)6-7-22(21)25)30-23-12-19(14-29-24(23)27)17-4-2-16(3-5-17)18-8-10-28-11-9-18/h2-7,12-15,18,28H,8-11H2,1H3,(H2,27,29)
InChIKeyBGDAPWLDXCPALX-UHFFFAOYSA-N
MW425.94 g/mol
LogP5.73
Rot. Bonds5

About 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperidin-4-ylphenyl)pyridin-2-amine

3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperidin-4-ylphenyl)pyridin-2-amine (PubChem CID 146185140) has the molecular formula C24H25ClFN3O and a molecular weight of 425.94 g/mol. Its IUPAC name is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperidin-4-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperidin-4-ylphenyl)pyridin-2-amine
PubChem CID146185140
Molecular FormulaC24H25ClFN3O
Molecular Weight425.94 g/mol
Exact Mass425.17
IUPAC Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperidin-4-ylphenyl)pyridin-2-amine
SMILESCC(Oc1cc(-c2ccc(C3CCNCC3)cc2)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C24H25ClFN3O/c1-15(21-13-20(26)6-7-22(21)25)30-23-12-19(14-29-24(23)27)17-4-2-16(3-5-17)18-8-10-28-11-9-18/h2-7,12-15,18,28H,8-11H2,1H3,(H2,27,29)
InChIKeyBGDAPWLDXCPALX-UHFFFAOYSA-N
XLogP5.73
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.94
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperidin-4-ylphenyl)pyridin-2-amine?
The IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperidin-4-ylphenyl)pyridin-2-amine (CID 146185140) is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperidin-4-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperidin-4-ylphenyl)pyridin-2-amine?
The canonical SMILES for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperidin-4-ylphenyl)pyridin-2-amine is CC(Oc1cc(-c2ccc(C3CCNCC3)cc2)cnc1N)c1cc(F)ccc1Cl.
What is the InChIKey of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperidin-4-ylphenyl)pyridin-2-amine?
The InChIKey is BGDAPWLDXCPALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN3O/c1-15(21-13-20(26)6-7-22(21)25)30-23-12-19(14-29-24(23)27)17-4-2-16(3-5-17)18-8-10-28-11-9-18/h2-7,12-15,18,28H,8-11H2,1H3,(H2,27,29).
What are the key properties of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperidin-4-ylphenyl)pyridin-2-amine?
3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperidin-4-ylphenyl)pyridin-2-amine has a molecular weight of 425.94 g/mol, XLogP of 5.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(4-piperidin-4-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 146185140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).