3-[1-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione

C19H18N4O5 — CID 121017264

IUPAC3-[1-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
SMILESCOc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C19H18N4O5/c1-28-15-7-16(24)22(12-5-3-2-4-6-12)11-14(15)18(26)21-9-13(10-21)23-17(25)8-20-19(23)27/h2-7,11,13H,8-10H2,1H3,(H,20,27)
InChIKeySVOWPILEQIIIAW-UHFFFAOYSA-N
MW382.38 g/mol
LogP0.22
Rot. Bonds4

About 3-[1-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione

3-[1-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121017264) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is 3-[1-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
PubChem CID121017264
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Name3-[1-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
SMILESCOc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C19H18N4O5/c1-28-15-7-16(24)22(12-5-3-2-4-6-12)11-14(15)18(26)21-9-13(10-21)23-17(25)8-20-19(23)27/h2-7,11,13H,8-10H2,1H3,(H,20,27)
InChIKeySVOWPILEQIIIAW-UHFFFAOYSA-N
XLogP0.22
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[1-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione with MolForge

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Related Compounds

ethyl 4-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)piperazine-1-carboxylate
CID 126854567
3-[1-[2-(2-methoxyphenyl)acetyl]azetidin-3-yl]imidazolidine-2,4-dione
CID 121159517
3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017220
3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159752
3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017244
3-[1-(2-methylquinoline-8-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121159439
3-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160226
3-[1-(2-benzylsulfanylacetyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017227
3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160384
N-benzhydryl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide
CID 121159552
3-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 119100037
3-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160255

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione (CID 121017264) is 3-[1-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione is COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC(N2C(=O)CNC2=O)C1.
What is the InChIKey of 3-[1-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is SVOWPILEQIIIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c1-28-15-7-16(24)22(12-5-3-2-4-6-12)11-14(15)18(26)21-9-13(10-21)23-17(25)8-20-19(23)27/h2-7,11,13H,8-10H2,1H3,(H,20,27).
What are the key properties of 3-[1-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione?
3-[1-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 382.38 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121017264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).