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

C17H18N4O3 — CID 118251431

IUPAC5-(4-methoxy-2-pyridinyl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(Nc2cc(-c3cc(OC)ccn3)c[nH]c2=O)C1
InChIInChI=1S/C17H18N4O3/c1-3-16(22)21-9-12(10-21)20-15-6-11(8-19-17(15)23)14-7-13(24-2)4-5-18-14/h3-8,12,20H,1,9-10H2,2H3,(H,19,23)
InChIKeyHOQUOFWQTFRLDX-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.25
Rot. Bonds5

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

5-(4-methoxy-2-pyridinyl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one (PubChem CID 118251431) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-(4-methoxy-2-pyridinyl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4-methoxy-2-pyridinyl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one
PubChem CID118251431
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name5-(4-methoxy-2-pyridinyl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one
SMILESC=CC(=O)N1CC(Nc2cc(-c3cc(OC)ccn3)c[nH]c2=O)C1
InChIInChI=1S/C17H18N4O3/c1-3-16(22)21-9-12(10-21)20-15-6-11(8-19-17(15)23)14-7-13(24-2)4-5-18-14/h3-8,12,20H,1,9-10H2,2H3,(H,19,23)
InChIKeyHOQUOFWQTFRLDX-UHFFFAOYSA-N
XLogP1.25
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(4-methoxy-2-pyridinyl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one with MolForge

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Related Compounds

5-(4-methoxy-2-pyridinyl)-3-[1-(1-prop-2-enoylazetidin-3-yl)ethylamino]-1H-pyridin-2-one
CID 118251400
5-[4-(methylamino)-2-pyridinyl]-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one
CID 118251053
5-(2-ethylpyrimidin-4-yl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one
CID 152986961
3-[[cyclopropyl-(1-prop-2-enoylazetidin-3-yl)methyl]amino]-5-[4-(methylamino)-2-pyridinyl]-1H-pyridin-2-one
CID 118511245
5-(6-methoxypyrimidin-4-yl)-3-[[1-[(E)-4-(propan-2-ylamino)but-2-enoyl]azetidin-3-yl]amino]-1H-pyridin-2-one
CID 118251290
3-[(1-prop-2-enoylpiperidin-4-yl)amino]-5-pyridin-4-yl-1H-pyridin-2-one
CID 118251452
3-[[1-[4-(dimethylamino)but-2-enoyl]azetidin-3-yl]amino]-5-pyrimidin-4-yl-1H-pyridin-2-one
CID 123960746
3-[[1-[(E)-4-(dimethylamino)but-2-enoyl]azetidin-3-yl]amino]-5-(2-ethylpyrimidin-4-yl)-1H-pyridin-2-one
CID 153072221
3-[[1-[4-(methylamino)but-2-enoyl]azetidin-3-yl]amino]-5-pyrimidin-4-yl-1H-pyridin-2-one
CID 123940563
3-[[(3S)-1-[4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]amino]-5-(2-methoxy-4-pyridinyl)-1H-pyridin-2-one
CID 123976002
3-[[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]amino]-5-(2-methoxy-4-pyridinyl)-1H-pyridin-2-one
CID 118251445
3-[[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-3-yl]amino]-5-(2-methoxy-4-pyridinyl)-1H-pyridin-2-one
CID 118250764

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2-pyridinyl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one?
The IUPAC name of 5-(4-methoxy-2-pyridinyl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one (CID 118251431) is 5-(4-methoxy-2-pyridinyl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one.
What is the SMILES notation for 5-(4-methoxy-2-pyridinyl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one?
The canonical SMILES for 5-(4-methoxy-2-pyridinyl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one is C=CC(=O)N1CC(Nc2cc(-c3cc(OC)ccn3)c[nH]c2=O)C1.
What is the InChIKey of 5-(4-methoxy-2-pyridinyl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one?
The InChIKey is HOQUOFWQTFRLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-3-16(22)21-9-12(10-21)20-15-6-11(8-19-17(15)23)14-7-13(24-2)4-5-18-14/h3-8,12,20H,1,9-10H2,2H3,(H,19,23).
What are the key properties of 5-(4-methoxy-2-pyridinyl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one?
5-(4-methoxy-2-pyridinyl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one has a molecular weight of 326.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2-pyridinyl)-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one is sourced from PubChem (CID 118251431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).