N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide

C17H23N3O6 — CID 166372523

IUPACN-[(5-hydroxy-4-oxopyran-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1cc(=O)c(O)co1)C1CC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C17H23N3O6/c21-14-8-13(26-11-15(14)22)9-18-17(24)12-7-16(23)20(10-12)2-1-19-3-5-25-6-4-19/h8,11-12,22H,1-7,9-10H2,(H,18,24)
InChIKeyIAWCZPNXQMMIEI-UHFFFAOYSA-N
MW365.39 g/mol
LogP-0.86
Rot. Bonds6

About N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide

N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 166372523) has the molecular formula C17H23N3O6 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-hydroxy-4-oxopyran-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID166372523
Molecular FormulaC17H23N3O6
Molecular Weight365.39 g/mol
Exact Mass365.16
IUPAC NameN-[(5-hydroxy-4-oxopyran-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1cc(=O)c(O)co1)C1CC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C17H23N3O6/c21-14-8-13(26-11-15(14)22)9-18-17(24)12-7-16(23)20(10-12)2-1-19-3-5-25-6-4-19/h8,11-12,22H,1-7,9-10H2,(H,18,24)
InChIKeyIAWCZPNXQMMIEI-UHFFFAOYSA-N
XLogP-0.86
TPSA112.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-(2-morpholin-4-ylethyl)-5-oxo-N-[(4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 166254690
N-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 119408328
(3R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 52528755
N-[2-(ethylamino)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119508727
N-[(1-methylpiperidin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 166259890
N-(2-amino-2-phenylethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 119529290
(2S)-4-methyl-2-[[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119361761
N-(2,5-dimethylphenyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182982
(3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 93017350
(3R)-1-(2-morpholin-4-ylethyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 95046533
1-[2-(2-fluorophenyl)ethyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113184203
N-(2-methyl-6-propan-2-ylphenyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182995

Frequently Asked Questions

What is the IUPAC name of N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (CID 166372523) is N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is O=C(NCc1cc(=O)c(O)co1)C1CC(=O)N(CCN2CCOCC2)C1.
What is the InChIKey of N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IAWCZPNXQMMIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O6/c21-14-8-13(26-11-15(14)22)9-18-17(24)12-7-16(23)20(10-12)2-1-19-3-5-25-6-4-19/h8,11-12,22H,1-7,9-10H2,(H,18,24).
What are the key properties of N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of -0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 166372523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).