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

C18H21N5O2 — CID 118261456

IUPAC3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(N(CC)c2cc(-c3cncc(C)n3)c[nH]c2=O)C1
InChIInChI=1S/C18H21N5O2/c1-4-17(24)22-10-14(11-22)23(5-2)16-6-13(8-20-18(16)25)15-9-19-7-12(3)21-15/h4,6-9,14H,1,5,10-11H2,2-3H3,(H,20,25)
InChIKeyNZJCRXLHKUQQLQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.36
Rot. Bonds5

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

3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one (PubChem CID 118261456) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one
PubChem CID118261456
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(N(CC)c2cc(-c3cncc(C)n3)c[nH]c2=O)C1
InChIInChI=1S/C18H21N5O2/c1-4-17(24)22-10-14(11-22)23(5-2)16-6-13(8-20-18(16)25)15-9-19-7-12(3)21-15/h4,6-9,14H,1,5,10-11H2,2-3H3,(H,20,25)
InChIKeyNZJCRXLHKUQQLQ-UHFFFAOYSA-N
XLogP1.36
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.36
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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Related Compounds

5-(6-methylpyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one
CID 118251051
3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-methyl-4-pyridinyl)-1H-pyridin-2-one
CID 118250780
3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-5-pyrazin-2-yl-1H-pyridin-2-one
CID 118251210
3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-ethylpyrazin-2-yl)-1H-pyridin-2-one
CID 149456394
3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-5-pyrimidin-4-yl-1H-pyridin-2-one
CID 118250867
3-[ethyl-(1-prop-2-enoylpiperidin-4-yl)amino]-5-pyridin-4-yl-1H-pyridin-2-one
CID 118250925
3-[methyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrimidin-4-yl)-1H-pyridin-2-one
CID 118250975
3-[cyclopropylmethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-[6-(methylamino)pyrimidin-4-yl]-1H-pyridin-2-one
CID 118251024
4-[5-[cyclopropylmethyl-(1-prop-2-enoylazetidin-3-yl)amino]-6-oxo-1H-pyridin-3-yl]-1-methylpyridin-2-one
CID 118250978
3-[methyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1,4-dihydropyrimidin-2-one
CID 118511243
3-[[1-[(E)-4-(dimethylamino)but-2-enoyl]azetidin-3-yl]-methylamino]-5-(6-methoxypyrazin-2-yl)-1H-pyridin-2-one
CID 118251199
3-[ethyl-[(3S)-1-[4-(methylamino)but-2-enoyl]pyrrolidin-3-yl]amino]-5-pyridin-4-yl-1H-pyridin-2-one
CID 123612260

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one?
The IUPAC name of 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one (CID 118261456) is 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one is C=CC(=O)N1CC(N(CC)c2cc(-c3cncc(C)n3)c[nH]c2=O)C1.
What is the InChIKey of 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one?
The InChIKey is NZJCRXLHKUQQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-4-17(24)22-10-14(11-22)23(5-2)16-6-13(8-20-18(16)25)15-9-19-7-12(3)21-15/h4,6-9,14H,1,5,10-11H2,2-3H3,(H,20,25).
What are the key properties of 3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one?
3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one has a molecular weight of 339.40 g/mol, XLogP of 1.36, 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-(6-methylpyrazin-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 118261456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).