5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-piperidin-3-ylethyl)pyridin-2-amine

C24H27ClFN5 — CID 77201397

About 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-piperidin-3-ylethyl)pyridin-2-amine

5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-piperidin-3-ylethyl)pyridin-2-amine (PubChem CID 77201397) has the molecular formula C24H27ClFN5 and a molecular weight of 439.97 g/mol. Its IUPAC name is 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-piperidin-3-ylethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-piperidin-3-ylethyl)pyridin-2-amine
• PubChem CID: 77201397
• Molecular Formula: C24H27ClFN5
• Molecular Weight: 439.97 g/mol
• Exact Mass: 439.19
• IUPAC Name: 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-piperidin-3-ylethyl)pyridin-2-amine
• SMILES: Fc1cccc(CNc2cccc(-c3cc(NCCC4CCCNC4)ncc3Cl)n2)c1
• InChI: InChI=1S/C24H27ClFN5/c25-21-16-30-24(28-11-9-17-5-3-10-27-14-17)13-20(21)22-7-2-8-23(31-22)29-15-18-4-1-6-19(26)12-18/h1-2,4,6-8,12-13,16-17,27H,3,5,9-11,14-15H2,(H,28,30)(H,29,31)
• InChIKey: IXVQBXGAKSATOK-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 61.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.97
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-piperidin-3-ylethyl)pyridin-2-amine?

The IUPAC name of 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-piperidin-3-ylethyl)pyridin-2-amine (CID 77201397) is 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-piperidin-3-ylethyl)pyridin-2-amine.

What is the SMILES notation for 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-piperidin-3-ylethyl)pyridin-2-amine?

The canonical SMILES for 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-piperidin-3-ylethyl)pyridin-2-amine is Fc1cccc(CNc2cccc(-c3cc(NCCC4CCCNC4)ncc3Cl)n2)c1.

What is the InChIKey of 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-piperidin-3-ylethyl)pyridin-2-amine?

The InChIKey is IXVQBXGAKSATOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN5/c25-21-16-30-24(28-11-9-17-5-3-10-27-14-17)13-20(21)22-7-2-8-23(31-22)29-15-18-4-1-6-19(26)12-18/h1-2,4,6-8,12-13,16-17,27H,3,5,9-11,14-15H2,(H,28,30)(H,29,31).

What are the key properties of 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-piperidin-3-ylethyl)pyridin-2-amine?

5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-piperidin-3-ylethyl)pyridin-2-amine has a molecular weight of 439.97 g/mol, XLogP of 5.35, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-piperidin-3-ylethyl)pyridin-2-amine is sourced from PubChem (CID 77201397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).