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

C24H25ClFN3O — CID 146185148

IUPAC3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-piperidin-4-ylphenyl)pyridin-2-amine
SMILESCC(Oc1cc(-c2cccc(C3CCNCC3)c2)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C24H25ClFN3O/c1-15(21-13-20(26)5-6-22(21)25)30-23-12-19(14-29-24(23)27)18-4-2-3-17(11-18)16-7-9-28-10-8-16/h2-6,11-16,28H,7-10H2,1H3,(H2,27,29)
InChIKeyRKDTUIMNCDTHEI-UHFFFAOYSA-N
MW425.94 g/mol
LogP5.73
Rot. Bonds5

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

3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-piperidin-4-ylphenyl)pyridin-2-amine (PubChem CID 146185148) 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-(3-piperidin-4-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-piperidin-4-ylphenyl)pyridin-2-amine
PubChem CID146185148
Molecular FormulaC24H25ClFN3O
Molecular Weight425.94 g/mol
Exact Mass425.17
IUPAC Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-piperidin-4-ylphenyl)pyridin-2-amine
SMILESCC(Oc1cc(-c2cccc(C3CCNCC3)c2)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C24H25ClFN3O/c1-15(21-13-20(26)5-6-22(21)25)30-23-12-19(14-29-24(23)27)18-4-2-3-17(11-18)16-7-9-28-10-8-16/h2-6,11-16,28H,7-10H2,1H3,(H2,27,29)
InChIKeyRKDTUIMNCDTHEI-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-(3-piperidin-4-ylphenyl)pyridin-2-amine?
The IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-piperidin-4-ylphenyl)pyridin-2-amine (CID 146185148) is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-piperidin-4-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-piperidin-4-ylphenyl)pyridin-2-amine?
The canonical SMILES for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-piperidin-4-ylphenyl)pyridin-2-amine is CC(Oc1cc(-c2cccc(C3CCNCC3)c2)cnc1N)c1cc(F)ccc1Cl.
What is the InChIKey of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-piperidin-4-ylphenyl)pyridin-2-amine?
The InChIKey is RKDTUIMNCDTHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN3O/c1-15(21-13-20(26)5-6-22(21)25)30-23-12-19(14-29-24(23)27)18-4-2-3-17(11-18)16-7-9-28-10-8-16/h2-6,11-16,28H,7-10H2,1H3,(H2,27,29).
What are the key properties of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-piperidin-4-ylphenyl)pyridin-2-amine?
3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3-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-(3-piperidin-4-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 146185148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).