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

C20H23N5O2 — CID 149456394

IUPAC3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-ethylpyrazin-2-yl)-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(N(c2cc(-c3cncc(CC)n3)c[nH]c2=O)C2CC2)C1
InChIInChI=1S/C20H23N5O2/c1-3-14-9-21-10-17(23-14)13-7-18(20(27)22-8-13)25(15-5-6-15)16-11-24(12-16)19(26)4-2/h4,7-10,15-16H,2-3,5-6,11-12H2,1H3,(H,22,27)
InChIKeyYYQIJWIOVSWNAG-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.76
Rot. Bonds6

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

3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-ethylpyrazin-2-yl)-1H-pyridin-2-one (PubChem CID 149456394) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-ethylpyrazin-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-ethylpyrazin-2-yl)-1H-pyridin-2-one
PubChem CID149456394
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-ethylpyrazin-2-yl)-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(N(c2cc(-c3cncc(CC)n3)c[nH]c2=O)C2CC2)C1
InChIInChI=1S/C20H23N5O2/c1-3-14-9-21-10-17(23-14)13-7-18(20(27)22-8-13)25(15-5-6-15)16-11-24(12-16)19(26)4-2/h4,7-10,15-16H,2-3,5-6,11-12H2,1H3,(H,22,27)
InChIKeyYYQIJWIOVSWNAG-UHFFFAOYSA-N
XLogP1.76
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.76
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

3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrazin-2-yl)-1H-pyridin-2-one
CID 118261456
5-(6-methylpyrazin-2-yl)-3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-1H-pyridin-2-one
CID 118251051
3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one
CID 118251021
3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-5-pyrazin-2-yl-1H-pyridin-2-one
CID 118251210
3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-5-pyrimidin-4-yl-1H-pyridin-2-one
CID 118250867
3-[methyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-methylpyrimidin-4-yl)-1H-pyridin-2-one
CID 118250975
3-[ethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(2-methyl-4-pyridinyl)-1H-pyridin-2-one
CID 118250780
3-[cyclopropylmethyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-[6-(methylamino)pyrimidin-4-yl]-1H-pyridin-2-one
CID 118251024
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-(1-prop-2-enoylpiperidin-4-yl)amino]-5-pyridin-4-yl-1H-pyridin-2-one
CID 118250925
4-[5-[cyclopropylmethyl-(1-prop-2-enoylazetidin-3-yl)amino]-6-oxo-1H-pyridin-3-yl]-1-methylpyridin-2-one
CID 118250978
5-(2-ethylpyrimidin-4-yl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one
CID 152986961

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-ethylpyrazin-2-yl)-1H-pyridin-2-one?
The IUPAC name of 3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-ethylpyrazin-2-yl)-1H-pyridin-2-one (CID 149456394) is 3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-ethylpyrazin-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-ethylpyrazin-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-ethylpyrazin-2-yl)-1H-pyridin-2-one is C=CC(=O)N1CC(N(c2cc(-c3cncc(CC)n3)c[nH]c2=O)C2CC2)C1.
What is the InChIKey of 3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-ethylpyrazin-2-yl)-1H-pyridin-2-one?
The InChIKey is YYQIJWIOVSWNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-3-14-9-21-10-17(23-14)13-7-18(20(27)22-8-13)25(15-5-6-15)16-11-24(12-16)19(26)4-2/h4,7-10,15-16H,2-3,5-6,11-12H2,1H3,(H,22,27).
What are the key properties of 3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-ethylpyrazin-2-yl)-1H-pyridin-2-one?
3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-ethylpyrazin-2-yl)-1H-pyridin-2-one has a molecular weight of 365.44 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)amino]-5-(6-ethylpyrazin-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 149456394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).