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

C19H23N5O2 — CID 118251051

IUPAC5-(6-methylpyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(N(CCC)c2cc(-c3cncc(C)n3)c[nH]c2=O)C1
InChIInChI=1S/C19H23N5O2/c1-4-6-24(15-11-23(12-15)18(25)5-2)17-7-14(9-21-19(17)26)16-10-20-8-13(3)22-16/h5,7-10,15H,2,4,6,11-12H2,1,3H3,(H,21,26)
InChIKeyWGEAJJOOGMDJDA-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.75
Rot. Bonds6

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

5-(6-methylpyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one (PubChem CID 118251051) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 5-(6-methylpyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(6-methylpyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one
PubChem CID118251051
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name5-(6-methylpyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(N(CCC)c2cc(-c3cncc(C)n3)c[nH]c2=O)C1
InChIInChI=1S/C19H23N5O2/c1-4-6-24(15-11-23(12-15)18(25)5-2)17-7-14(9-21-19(17)26)16-10-20-8-13(3)22-16/h5,7-10,15H,2,4,6,11-12H2,1,3H3,(H,21,26)
InChIKeyWGEAJJOOGMDJDA-UHFFFAOYSA-N
XLogP1.75
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methylpyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one?
The IUPAC name of 5-(6-methylpyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one (CID 118251051) is 5-(6-methylpyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one.
What is the SMILES notation for 5-(6-methylpyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one?
The canonical SMILES for 5-(6-methylpyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one is C=CC(=O)N1CC(N(CCC)c2cc(-c3cncc(C)n3)c[nH]c2=O)C1.
What is the InChIKey of 5-(6-methylpyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one?
The InChIKey is WGEAJJOOGMDJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-4-6-24(15-11-23(12-15)18(25)5-2)17-7-14(9-21-19(17)26)16-10-20-8-13(3)22-16/h5,7-10,15H,2,4,6,11-12H2,1,3H3,(H,21,26).
What are the key properties of 5-(6-methylpyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one?
5-(6-methylpyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one has a molecular weight of 353.43 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methylpyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one is sourced from PubChem (CID 118251051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).