5-pyridin-4-yl-3-[[(3R)-1-[(E)-4-pyridin-2-ylbut-2-enoyl]piperidin-3-yl]amino]-1H-pyridin-2-one

C24H25N5O2 — CID 118251027

About 5-pyridin-4-yl-3-[[(3R)-1-[(E)-4-pyridin-2-ylbut-2-enoyl]piperidin-3-yl]amino]-1H-pyridin-2-one

5-pyridin-4-yl-3-[[(3R)-1-[(E)-4-pyridin-2-ylbut-2-enoyl]piperidin-3-yl]amino]-1H-pyridin-2-one (PubChem CID 118251027) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 5-pyridin-4-yl-3-[[(3R)-1-[(E)-4-pyridin-2-ylbut-2-enoyl]piperidin-3-yl]amino]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 5-pyridin-4-yl-3-[[(3R)-1-[(E)-4-pyridin-2-ylbut-2-enoyl]piperidin-3-yl]amino]-1H-pyridin-2-one
• PubChem CID: 118251027
• Molecular Formula: C24H25N5O2
• Molecular Weight: 415.50 g/mol
• Exact Mass: 415.20
• IUPAC Name: 5-pyridin-4-yl-3-[[(3R)-1-[(E)-4-pyridin-2-ylbut-2-enoyl]piperidin-3-yl]amino]-1H-pyridin-2-one
• SMILES: O=C(/C=C/Cc1ccccn1)N1CCC[C@@H](Nc2cc(-c3ccncc3)c[nH]c2=O)C1
• InChI: InChI=1S/C24H25N5O2/c30-23(8-3-6-20-5-1-2-11-26-20)29-14-4-7-21(17-29)28-22-15-19(16-27-24(22)31)18-9-12-25-13-10-18/h1-3,5,8-13,15-16,21,28H,4,6-7,14,17H2,(H,27,31)/b8-3+/t21-/m1/s1
• InChIKey: YWPXJCWDWYDYGI-RPZUPEABSA-N
• XLogP: 3.03
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.50
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-3-[[(3R)-1-[(E)-4-pyridin-2-ylbut-2-enoyl]piperidin-3-yl]amino]-1H-pyridin-2-one?

The IUPAC name of 5-pyridin-4-yl-3-[[(3R)-1-[(E)-4-pyridin-2-ylbut-2-enoyl]piperidin-3-yl]amino]-1H-pyridin-2-one (CID 118251027) is 5-pyridin-4-yl-3-[[(3R)-1-[(E)-4-pyridin-2-ylbut-2-enoyl]piperidin-3-yl]amino]-1H-pyridin-2-one.

What is the SMILES notation for 5-pyridin-4-yl-3-[[(3R)-1-[(E)-4-pyridin-2-ylbut-2-enoyl]piperidin-3-yl]amino]-1H-pyridin-2-one?

The canonical SMILES for 5-pyridin-4-yl-3-[[(3R)-1-[(E)-4-pyridin-2-ylbut-2-enoyl]piperidin-3-yl]amino]-1H-pyridin-2-one is O=C(/C=C/Cc1ccccn1)N1CCC[C@@H](Nc2cc(-c3ccncc3)c[nH]c2=O)C1.

What is the InChIKey of 5-pyridin-4-yl-3-[[(3R)-1-[(E)-4-pyridin-2-ylbut-2-enoyl]piperidin-3-yl]amino]-1H-pyridin-2-one?

The InChIKey is YWPXJCWDWYDYGI-RPZUPEABSA-N. The full InChI is InChI=1S/C24H25N5O2/c30-23(8-3-6-20-5-1-2-11-26-20)29-14-4-7-21(17-29)28-22-15-19(16-27-24(22)31)18-9-12-25-13-10-18/h1-3,5,8-13,15-16,21,28H,4,6-7,14,17H2,(H,27,31)/b8-3+/t21-/m1/s1.

What are the key properties of 5-pyridin-4-yl-3-[[(3R)-1-[(E)-4-pyridin-2-ylbut-2-enoyl]piperidin-3-yl]amino]-1H-pyridin-2-one?

5-pyridin-4-yl-3-[[(3R)-1-[(E)-4-pyridin-2-ylbut-2-enoyl]piperidin-3-yl]amino]-1H-pyridin-2-one has a molecular weight of 415.50 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-pyridin-4-yl-3-[[(3R)-1-[(E)-4-pyridin-2-ylbut-2-enoyl]piperidin-3-yl]amino]-1H-pyridin-2-one is sourced from PubChem (CID 118251027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).