3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-(piperidin-4-ylamino)-3-pyridinyl]pyridin-2-amine

C23H24Cl2FN5O — CID 58688199

About 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-(piperidin-4-ylamino)-3-pyridinyl]pyridin-2-amine

3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-(piperidin-4-ylamino)-3-pyridinyl]pyridin-2-amine (PubChem CID 58688199) has the molecular formula C23H24Cl2FN5O and a molecular weight of 476.38 g/mol. Its IUPAC name is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-(piperidin-4-ylamino)-3-pyridinyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-(piperidin-4-ylamino)-3-pyridinyl]pyridin-2-amine
• PubChem CID: 58688199
• Molecular Formula: C23H24Cl2FN5O
• Molecular Weight: 476.38 g/mol
• Exact Mass: 475.13
• IUPAC Name: 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-(piperidin-4-ylamino)-3-pyridinyl]pyridin-2-amine
• SMILES: CC(Oc1cc(-c2ccc(NC3CCNCC3)nc2)cnc1N)c1c(Cl)ccc(F)c1Cl
• InChI: InChI=1S/C23H24Cl2FN5O/c1-13(21-17(24)3-4-18(26)22(21)25)32-19-10-15(12-30-23(19)27)14-2-5-20(29-11-14)31-16-6-8-28-9-7-16/h2-5,10-13,16,28H,6-9H2,1H3,(H2,27,30)(H,29,31)
• InChIKey: RMFBJBWWJIPATG-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 85.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.38
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-(piperidin-4-ylamino)-3-pyridinyl]pyridin-2-amine?

The IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-(piperidin-4-ylamino)-3-pyridinyl]pyridin-2-amine (CID 58688199) is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-(piperidin-4-ylamino)-3-pyridinyl]pyridin-2-amine.

What is the SMILES notation for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-(piperidin-4-ylamino)-3-pyridinyl]pyridin-2-amine?

The canonical SMILES for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-(piperidin-4-ylamino)-3-pyridinyl]pyridin-2-amine is CC(Oc1cc(-c2ccc(NC3CCNCC3)nc2)cnc1N)c1c(Cl)ccc(F)c1Cl.

What is the InChIKey of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-(piperidin-4-ylamino)-3-pyridinyl]pyridin-2-amine?

The InChIKey is RMFBJBWWJIPATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2FN5O/c1-13(21-17(24)3-4-18(26)22(21)25)32-19-10-15(12-30-23(19)27)14-2-5-20(29-11-14)31-16-6-8-28-9-7-16/h2-5,10-13,16,28H,6-9H2,1H3,(H2,27,30)(H,29,31).

What are the key properties of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-(piperidin-4-ylamino)-3-pyridinyl]pyridin-2-amine?

3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-(piperidin-4-ylamino)-3-pyridinyl]pyridin-2-amine has a molecular weight of 476.38 g/mol, XLogP of 5.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-(piperidin-4-ylamino)-3-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 58688199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).