ethyl 5-[[2-oxo-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-1-yl]methyl]furan-2-carboxylate

C20H25N3O4 — CID 45175261

IUPACethyl 5-[[2-oxo-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-1-yl]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CN2C(=O)CCC2CCNCc2cccnc2)o1
InChIInChI=1S/C20H25N3O4/c1-2-26-20(25)18-7-6-17(27-18)14-23-16(5-8-19(23)24)9-11-22-13-15-4-3-10-21-12-15/h3-4,6-7,10,12,16,22H,2,5,8-9,11,13-14H2,1H3
InChIKeyDMQUJFPXHPRZJH-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.52
Rot. Bonds9

About ethyl 5-[[2-oxo-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-1-yl]methyl]furan-2-carboxylate

ethyl 5-[[2-oxo-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-1-yl]methyl]furan-2-carboxylate (PubChem CID 45175261) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is ethyl 5-[[2-oxo-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-1-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-oxo-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-1-yl]methyl]furan-2-carboxylate
PubChem CID45175261
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Nameethyl 5-[[2-oxo-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-1-yl]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CN2C(=O)CCC2CCNCc2cccnc2)o1
InChIInChI=1S/C20H25N3O4/c1-2-26-20(25)18-7-6-17(27-18)14-23-16(5-8-19(23)24)9-11-22-13-15-4-3-10-21-12-15/h3-4,6-7,10,12,16,22H,2,5,8-9,11,13-14H2,1H3
InChIKeyDMQUJFPXHPRZJH-UHFFFAOYSA-N
XLogP2.52
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 5-[[2-oxo-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-1-yl]methyl]furan-2-carboxylate with MolForge

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Related Compounds

(5S)-1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-2-one
CID 125163435
1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-2-one
CID 118754202
(5R)-1-[(2S)-2-phenylpropyl]-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-2-one
CID 42247085
methyl 4-[[2-[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]ethylamino]methyl]benzoate
CID 26344788
(5R)-1-[(4-chlorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 26356442
(5S)-5-[2-(pyridin-3-ylmethylamino)ethyl]-1-[[(1R,2S,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]pyrrolidin-2-one
CID 125158594
5-[2-(benzylamino)ethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one
CID 45176010
methyl 4-[[2-[(2S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]ethylamino]methyl]benzoate
CID 42237194
1-[(4-chlorophenyl)methyl]-5-[2-(ethylamino)ethyl]pyrrolidin-2-one
CID 45215570
ethyl 5-[[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]methyl]furan-2-carboxylate
CID 97336586
(5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
CID 42235949
5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 132597790

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-oxo-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-1-yl]methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[[2-oxo-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-1-yl]methyl]furan-2-carboxylate (CID 45175261) is ethyl 5-[[2-oxo-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-1-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[[2-oxo-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-1-yl]methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[[2-oxo-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-1-yl]methyl]furan-2-carboxylate is CCOC(=O)c1ccc(CN2C(=O)CCC2CCNCc2cccnc2)o1.
What is the InChIKey of ethyl 5-[[2-oxo-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-1-yl]methyl]furan-2-carboxylate?
The InChIKey is DMQUJFPXHPRZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-2-26-20(25)18-7-6-17(27-18)14-23-16(5-8-19(23)24)9-11-22-13-15-4-3-10-21-12-15/h3-4,6-7,10,12,16,22H,2,5,8-9,11,13-14H2,1H3.
What are the key properties of ethyl 5-[[2-oxo-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-1-yl]methyl]furan-2-carboxylate?
ethyl 5-[[2-oxo-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-1-yl]methyl]furan-2-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-oxo-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-1-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 45175261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).