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

C19H23N5O3 — CID 118250875

IUPAC5-(6-methoxypyrazin-2-yl)-3-[1-(1-prop-2-enoylazetidin-3-yl)propylamino]-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(C(CC)Nc2cc(-c3cncc(OC)n3)c[nH]c2=O)C1
InChIInChI=1S/C19H23N5O3/c1-4-14(13-10-24(11-13)18(25)5-2)22-15-6-12(7-21-19(15)26)16-8-20-9-17(23-16)27-3/h5-9,13-14,22H,2,4,10-11H2,1,3H3,(H,21,26)
InChIKeyQYWWPMYRHPJKGE-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.68
Rot. Bonds7

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

5-(6-methoxypyrazin-2-yl)-3-[1-(1-prop-2-enoylazetidin-3-yl)propylamino]-1H-pyridin-2-one (PubChem CID 118250875) 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-(1-prop-2-enoylazetidin-3-yl)propylamino]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(6-methoxypyrazin-2-yl)-3-[1-(1-prop-2-enoylazetidin-3-yl)propylamino]-1H-pyridin-2-one
PubChem CID118250875
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name5-(6-methoxypyrazin-2-yl)-3-[1-(1-prop-2-enoylazetidin-3-yl)propylamino]-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(C(CC)Nc2cc(-c3cncc(OC)n3)c[nH]c2=O)C1
InChIInChI=1S/C19H23N5O3/c1-4-14(13-10-24(11-13)18(25)5-2)22-15-6-12(7-21-19(15)26)16-8-20-9-17(23-16)27-3/h5-9,13-14,22H,2,4,10-11H2,1,3H3,(H,21,26)
InChIKeyQYWWPMYRHPJKGE-UHFFFAOYSA-N
XLogP1.68
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
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-(1-prop-2-enoylazetidin-3-yl)propylamino]-1H-pyridin-2-one?
The IUPAC name of 5-(6-methoxypyrazin-2-yl)-3-[1-(1-prop-2-enoylazetidin-3-yl)propylamino]-1H-pyridin-2-one (CID 118250875) is 5-(6-methoxypyrazin-2-yl)-3-[1-(1-prop-2-enoylazetidin-3-yl)propylamino]-1H-pyridin-2-one.
What is the SMILES notation for 5-(6-methoxypyrazin-2-yl)-3-[1-(1-prop-2-enoylazetidin-3-yl)propylamino]-1H-pyridin-2-one?
The canonical SMILES for 5-(6-methoxypyrazin-2-yl)-3-[1-(1-prop-2-enoylazetidin-3-yl)propylamino]-1H-pyridin-2-one is C=CC(=O)N1CC(C(CC)Nc2cc(-c3cncc(OC)n3)c[nH]c2=O)C1.
What is the InChIKey of 5-(6-methoxypyrazin-2-yl)-3-[1-(1-prop-2-enoylazetidin-3-yl)propylamino]-1H-pyridin-2-one?
The InChIKey is QYWWPMYRHPJKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-4-14(13-10-24(11-13)18(25)5-2)22-15-6-12(7-21-19(15)26)16-8-20-9-17(23-16)27-3/h5-9,13-14,22H,2,4,10-11H2,1,3H3,(H,21,26).
What are the key properties of 5-(6-methoxypyrazin-2-yl)-3-[1-(1-prop-2-enoylazetidin-3-yl)propylamino]-1H-pyridin-2-one?
5-(6-methoxypyrazin-2-yl)-3-[1-(1-prop-2-enoylazetidin-3-yl)propylamino]-1H-pyridin-2-one has a molecular weight of 369.43 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxypyrazin-2-yl)-3-[1-(1-prop-2-enoylazetidin-3-yl)propylamino]-1H-pyridin-2-one is sourced from PubChem (CID 118250875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).