N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C25H32N4O4 — CID 55709901

IUPACN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)NCc2ccc(N3CC(C)OC(C)C3)nc2)CC1=O
InChIInChI=1S/C25H32N4O4/c1-4-32-22-8-6-5-7-21(22)29-16-20(11-24(29)30)25(31)27-13-19-9-10-23(26-12-19)28-14-17(2)33-18(3)15-28/h5-10,12,17-18,20H,4,11,13-16H2,1-3H3,(H,27,31)
InChIKeyWSMGTDMMIHDNFO-UHFFFAOYSA-N
MW452.56 g/mol
LogP2.76
Rot. Bonds7

About N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55709901) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55709901
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC NameN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)NCc2ccc(N3CC(C)OC(C)C3)nc2)CC1=O
InChIInChI=1S/C25H32N4O4/c1-4-32-22-8-6-5-7-21(22)29-16-20(11-24(29)30)25(31)27-13-19-9-10-23(26-12-19)28-14-17(2)33-18(3)15-28/h5-10,12,17-18,20H,4,11,13-16H2,1-3H3,(H,27,31)
InChIKeyWSMGTDMMIHDNFO-UHFFFAOYSA-N
XLogP2.76
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46487067
1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42904798
1-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55839591
1-(2-ethoxyphenyl)-N-[(3-fluoro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 24553269
(3S)-1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2713254
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 134040307
1-(2-ethoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 51154516
1-(2-ethoxyphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 134023136
1-(2-ethoxyphenyl)-5-oxo-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 24571415
(3S)-1-(2,4-dimethoxyphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42473597
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9217109
N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84955148

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55709901) is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1N1CC(C(=O)NCc2ccc(N3CC(C)OC(C)C3)nc2)CC1=O.
What is the InChIKey of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WSMGTDMMIHDNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-4-32-22-8-6-5-7-21(22)29-16-20(11-24(29)30)25(31)27-13-19-9-10-23(26-12-19)28-14-17(2)33-18(3)15-28/h5-10,12,17-18,20H,4,11,13-16H2,1-3H3,(H,27,31).
What are the key properties of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55709901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).