5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one

C₁₉H₂₂N₄O₃ — CID 118251400

About 5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one

5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one (PubChem CID 118251400) has the molecular formula C₁₉H₂₂N₄O₃ and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one
• PubChem CID: 118251400
• Molecular Formula: C₁₉H₂₂N₄O₃
• Molecular Weight: 354.41 g/mol
• Exact Mass: 354.17
• IUPAC Name: 5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one
• SMILES: C=CC(=O)N1CC(C(C)Nc2cc(-c3cc(OC)ccn3)c[nH]c2=O)C1
• InChI: InChI=1S/C19H22N4O3/c1-4-18(24)23-10-14(11-23)12(2)22-17-7-13(9-21-19(17)25)16-8-15(26-3)5-6-20-16/h4-9,12,14,22H,1,10-11H2,2-3H3,(H,21,25)
• InChIKey: MORMPTWRDQJQPD-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.41
LogP ≤ 5	1.89
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-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one?

The IUPAC name of 5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one (CID 118251400) is 5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one.

What is the SMILES notation for 5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one?

The canonical SMILES for 5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one is C=CC(=O)N1CC(C(C)Nc2cc(-c3cc(OC)ccn3)c[nH]c2=O)C1.

What is the InChIKey of 5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one?

The InChIKey is MORMPTWRDQJQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-4-18(24)23-10-14(11-23)12(2)22-17-7-13(9-21-19(17)25)16-8-15(26-3)5-6-20-16/h4-9,12,14,22H,1,10-11H2,2-3H3,(H,21,25).

What are the key properties of 5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one?

5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one has a molecular weight of 354.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one is sourced from PubChem (CID 118251400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118251400 — identifiers, structure, computed properties (public domain)

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