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

C18H21N5O3 — CID 118250943

IUPAC5-(6-methoxypyrazin-2-yl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(C(C)Nc2cc(-c3cncc(OC)n3)c[nH]c2=O)C1
InChIInChI=1S/C18H21N5O3/c1-4-17(24)23-9-13(10-23)11(2)21-14-5-12(6-20-18(14)25)15-7-19-8-16(22-15)26-3/h4-8,11,13,21H,1,9-10H2,2-3H3,(H,20,25)
InChIKeyGPRQPPBLJXWJNX-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.29
Rot. Bonds6

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

5-(6-methoxypyrazin-2-yl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one (PubChem CID 118250943) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 5-(6-methoxypyrazin-2-yl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(6-methoxypyrazin-2-yl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one
PubChem CID118250943
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name5-(6-methoxypyrazin-2-yl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(C(C)Nc2cc(-c3cncc(OC)n3)c[nH]c2=O)C1
InChIInChI=1S/C18H21N5O3/c1-4-17(24)23-9-13(10-23)11(2)21-14-5-12(6-20-18(14)25)15-7-19-8-16(22-15)26-3/h4-8,11,13,21H,1,9-10H2,2-3H3,(H,20,25)
InChIKeyGPRQPPBLJXWJNX-UHFFFAOYSA-N
XLogP1.29
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.29
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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Related Compounds

CID 20399238
CID 20399238
CID 20399245
CID 20399245
CID 20399279
CID 20399279
CID 20399305
CID 20399305
CID 118250858
CID 118250858
CID 118250860
CID 118250860
CID 118250875
CID 118250875
CID 118250876
CID 118250876
CID 118250877
CID 118250877
CID 118250889
CID 118250889
CID 118250894
CID 118250894
CID 118250944
CID 118250944

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxypyrazin-2-yl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one?
The IUPAC name of 5-(6-methoxypyrazin-2-yl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one (CID 118250943) is 5-(6-methoxypyrazin-2-yl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one.
What is the SMILES notation for 5-(6-methoxypyrazin-2-yl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one?
The canonical SMILES for 5-(6-methoxypyrazin-2-yl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one is C=CC(=O)N1CC(C(C)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)ethylamino]-1H-pyridin-2-one?
The InChIKey is GPRQPPBLJXWJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-4-17(24)23-9-13(10-23)11(2)21-14-5-12(6-20-18(14)25)15-7-19-8-16(22-15)26-3/h4-8,11,13,21H,1,9-10H2,2-3H3,(H,20,25).
What are the key properties of 5-(6-methoxypyrazin-2-yl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one?
5-(6-methoxypyrazin-2-yl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one has a molecular weight of 355.40 g/mol, XLogP of 1.29, 6 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)ethylamino]-1H-pyridin-2-one is sourced from PubChem (CID 118250943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).