ethyl 5-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-3-carboxylate

C19H18N2O4 — CID 110457899

IUPACethyl 5-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(CC2CC(=O)N(c3ccccc3)C2=O)c1
InChIInChI=1S/C19H18N2O4/c1-2-25-19(24)15-9-13(11-20-12-15)8-14-10-17(22)21(18(14)23)16-6-4-3-5-7-16/h3-7,9,11-12,14H,2,8,10H2,1H3
InChIKeyMVJZSOAVYMFLOK-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.38
Rot. Bonds5

About ethyl 5-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-3-carboxylate

ethyl 5-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-3-carboxylate (PubChem CID 110457899) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is ethyl 5-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-3-carboxylate
PubChem CID110457899
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Nameethyl 5-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(CC2CC(=O)N(c3ccccc3)C2=O)c1
InChIInChI=1S/C19H18N2O4/c1-2-25-19(24)15-9-13(11-20-12-15)8-14-10-17(22)21(18(14)23)16-6-4-3-5-7-16/h3-7,9,11-12,14H,2,8,10H2,1H3
InChIKeyMVJZSOAVYMFLOK-UHFFFAOYSA-N
XLogP2.38
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(3-benzyl-2,5-dioxopyrrolidin-1-yl)benzoate
CID 3709959
ethyl 4-[(3S)-3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 1302728
(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 6935576
4-[(3R)-3-[(3,5-dimethylphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 822196
ethane;ethyl 5-ethylpyridine-3-carboxylate
CID 143600657
ethyl 4-[2,5-dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoate
CID 2877201
(3R)-3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione
CID 804537
3-[(3-chlorophenyl)methyl]-1-phenylpyrrolidine-2,5-dione
CID 110457872
(3S)-3-benzyl-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
CID 1331425
ethyl 5-(aminomethyl)pyridine-3-carboxylate;dihydrochloride
CID 140963506
ethyl 4-[3-[cyclopentyl-(2-phenylacetyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23943046
ethyl 5-(chloromethyl)pyridine-3-carboxylate;hydrochloride
CID 70071930

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-3-carboxylate (CID 110457899) is ethyl 5-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-3-carboxylate is CCOC(=O)c1cncc(CC2CC(=O)N(c3ccccc3)C2=O)c1.
What is the InChIKey of ethyl 5-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-3-carboxylate?
The InChIKey is MVJZSOAVYMFLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-2-25-19(24)15-9-13(11-20-12-15)8-14-10-17(22)21(18(14)23)16-6-4-3-5-7-16/h3-7,9,11-12,14H,2,8,10H2,1H3.
What are the key properties of ethyl 5-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-3-carboxylate?
ethyl 5-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-3-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 110457899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).