5-(6-methoxypyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one

C19H23N5O3 — CID 118250876

IUPAC5-(6-methoxypyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(N(CCC)c2cc(-c3cncc(OC)n3)c[nH]c2=O)C1
InChIInChI=1S/C19H23N5O3/c1-4-6-24(14-11-23(12-14)18(25)5-2)16-7-13(8-21-19(16)26)15-9-20-10-17(22-15)27-3/h5,7-10,14H,2,4,6,11-12H2,1,3H3,(H,21,26)
InChIKeyJOYMMWOWMCDXSG-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.45
Rot. Bonds7

About 5-(6-methoxypyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one

5-(6-methoxypyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one (PubChem CID 118250876) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 5-(6-methoxypyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(6-methoxypyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one
PubChem CID118250876
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name5-(6-methoxypyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(N(CCC)c2cc(-c3cncc(OC)n3)c[nH]c2=O)C1
InChIInChI=1S/C19H23N5O3/c1-4-6-24(14-11-23(12-14)18(25)5-2)16-7-13(8-21-19(16)26)15-9-20-10-17(22-15)27-3/h5,7-10,14H,2,4,6,11-12H2,1,3H3,(H,21,26)
InChIKeyJOYMMWOWMCDXSG-UHFFFAOYSA-N
XLogP1.45
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxypyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one?
The IUPAC name of 5-(6-methoxypyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one (CID 118250876) is 5-(6-methoxypyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one.
What is the SMILES notation for 5-(6-methoxypyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one?
The canonical SMILES for 5-(6-methoxypyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one is C=CC(=O)N1CC(N(CCC)c2cc(-c3cncc(OC)n3)c[nH]c2=O)C1.
What is the InChIKey of 5-(6-methoxypyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one?
The InChIKey is JOYMMWOWMCDXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-4-6-24(14-11-23(12-14)18(25)5-2)16-7-13(8-21-19(16)26)15-9-20-10-17(22-15)27-3/h5,7-10,14H,2,4,6,11-12H2,1,3H3,(H,21,26).
What are the key properties of 5-(6-methoxypyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one?
5-(6-methoxypyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one has a molecular weight of 369.43 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxypyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one is sourced from PubChem (CID 118250876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).