3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-pyrazin-2-yl-1H-pyridin-2-one

C17H19N5O2 — CID 118250860

IUPAC3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-pyrazin-2-yl-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(N(CC)c2cc(-c3cnccn3)c[nH]c2=O)C1
InChIInChI=1S/C17H19N5O2/c1-3-16(23)21-10-13(11-21)22(4-2)15-7-12(8-20-17(15)24)14-9-18-5-6-19-14/h3,5-9,13H,1,4,10-11H2,2H3,(H,20,24)
InChIKeyOQZAWBMWMITXHU-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.05
Rot. Bonds5

About 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-pyrazin-2-yl-1H-pyridin-2-one

3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-pyrazin-2-yl-1H-pyridin-2-one (PubChem CID 118250860) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-pyrazin-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-pyrazin-2-yl-1H-pyridin-2-one
PubChem CID118250860
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-pyrazin-2-yl-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(N(CC)c2cc(-c3cnccn3)c[nH]c2=O)C1
InChIInChI=1S/C17H19N5O2/c1-3-16(23)21-10-13(11-21)22(4-2)15-7-12(8-20-17(15)24)14-9-18-5-6-19-14/h3,5-9,13H,1,4,10-11H2,2H3,(H,20,24)
InChIKeyOQZAWBMWMITXHU-UHFFFAOYSA-N
XLogP1.05
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.05
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 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-pyrazin-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-pyrazin-2-yl-1H-pyridin-2-one (CID 118250860) is 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-pyrazin-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-pyrazin-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-pyrazin-2-yl-1H-pyridin-2-one is C=CC(=O)N1CC(N(CC)c2cc(-c3cnccn3)c[nH]c2=O)C1.
What is the InChIKey of 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-pyrazin-2-yl-1H-pyridin-2-one?
The InChIKey is OQZAWBMWMITXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-3-16(23)21-10-13(11-21)22(4-2)15-7-12(8-20-17(15)24)14-9-18-5-6-19-14/h3,5-9,13H,1,4,10-11H2,2H3,(H,20,24).
What are the key properties of 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-pyrazin-2-yl-1H-pyridin-2-one?
3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-pyrazin-2-yl-1H-pyridin-2-one has a molecular weight of 325.37 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-pyrazin-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 118250860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).