5-(2-ethylpyrimidin-4-yl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one

C17H19N5O2 — CID 152986961

IUPAC5-(2-ethylpyrimidin-4-yl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(Nc2cc(-c3ccnc(CC)n3)c[nH]c2=O)C1
InChIInChI=1S/C17H19N5O2/c1-3-15-18-6-5-13(21-15)11-7-14(17(24)19-8-11)20-12-9-22(10-12)16(23)4-2/h4-8,12,20H,2-3,9-10H2,1H3,(H,19,24)
InChIKeyUVMTWVUNXUALFB-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.20
Rot. Bonds5

About 5-(2-ethylpyrimidin-4-yl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one

5-(2-ethylpyrimidin-4-yl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one (PubChem CID 152986961) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-(2-ethylpyrimidin-4-yl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2-ethylpyrimidin-4-yl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one
PubChem CID152986961
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name5-(2-ethylpyrimidin-4-yl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(Nc2cc(-c3ccnc(CC)n3)c[nH]c2=O)C1
InChIInChI=1S/C17H19N5O2/c1-3-15-18-6-5-13(21-15)11-7-14(17(24)19-8-11)20-12-9-22(10-12)16(23)4-2/h4-8,12,20H,2-3,9-10H2,1H3,(H,19,24)
InChIKeyUVMTWVUNXUALFB-UHFFFAOYSA-N
XLogP1.20
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[[1-[(E)-4-(dimethylamino)but-2-enoyl]azetidin-3-yl]amino]-5-(2-ethylpyrimidin-4-yl)-1H-pyridin-2-one
CID 153072221
5-[4-(methylamino)-2-pyridinyl]-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one
CID 118251053
5-(4-methoxy-2-pyridinyl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one
CID 118251431
3-[[1-[4-(methylamino)but-2-enoyl]azetidin-3-yl]amino]-5-pyrimidin-4-yl-1H-pyridin-2-one
CID 123940563
3-[[1-[4-(dimethylamino)but-2-enoyl]azetidin-3-yl]amino]-5-pyrimidin-4-yl-1H-pyridin-2-one
CID 123960746
5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one
CID 118251400
3-[(1-prop-2-enoylpiperidin-4-yl)amino]-5-pyridin-4-yl-1H-pyridin-2-one
CID 118251452
3-[[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)methyl]amino]-5-[4-(methylamino)-2-pyridinyl]-1H-pyridin-2-one
CID 118511245
3-[[1-[(E)-4-aminobut-2-enoyl]azetidin-3-yl]amino]-5-[6-(methylamino)pyrazin-2-yl]-1H-pyridin-2-one
CID 118251391
N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide
CID 148543420
3-[(1-prop-2-enoylazetidin-3-yl)-propylamino]-5-pyrimidin-4-yl-1H-pyridin-2-one
CID 118250867
5-pyridin-4-yl-3-[[1-[(E)-4-pyrrolidin-1-ylbut-2-enoyl]azetidin-3-yl]amino]-1H-pyridin-2-one
CID 118250833

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpyrimidin-4-yl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one?
The IUPAC name of 5-(2-ethylpyrimidin-4-yl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one (CID 152986961) is 5-(2-ethylpyrimidin-4-yl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one.
What is the SMILES notation for 5-(2-ethylpyrimidin-4-yl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one?
The canonical SMILES for 5-(2-ethylpyrimidin-4-yl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one is C=CC(=O)N1CC(Nc2cc(-c3ccnc(CC)n3)c[nH]c2=O)C1.
What is the InChIKey of 5-(2-ethylpyrimidin-4-yl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one?
The InChIKey is UVMTWVUNXUALFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-3-15-18-6-5-13(21-15)11-7-14(17(24)19-8-11)20-12-9-22(10-12)16(23)4-2/h4-8,12,20H,2-3,9-10H2,1H3,(H,19,24).
What are the key properties of 5-(2-ethylpyrimidin-4-yl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one?
5-(2-ethylpyrimidin-4-yl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one has a molecular weight of 325.37 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpyrimidin-4-yl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one is sourced from PubChem (CID 152986961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).