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

C23H27ClN4O3 — CID 55839591

IUPAC1-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC1CN(c2ccc(CNC(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)cn2)CC(C)O1
InChIInChI=1S/C23H27ClN4O3/c1-15-12-27(13-16(2)31-15)21-8-3-17(10-25-21)11-26-23(30)18-9-22(29)28(14-18)20-6-4-19(24)5-7-20/h3-8,10,15-16,18H,9,11-14H2,1-2H3,(H,26,30)
InChIKeyWHXWLVIPRHJDCR-UHFFFAOYSA-N
MW442.95 g/mol
LogP3.02
Rot. Bonds5

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

1-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55839591) has the molecular formula C23H27ClN4O3 and a molecular weight of 442.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55839591
Molecular FormulaC23H27ClN4O3
Molecular Weight442.95 g/mol
Exact Mass442.18
IUPAC Name1-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC1CN(c2ccc(CNC(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)cn2)CC(C)O1
InChIInChI=1S/C23H27ClN4O3/c1-15-12-27(13-16(2)31-15)21-8-3-17(10-25-21)11-26-23(30)18-9-22(29)28(14-18)20-6-4-19(24)5-7-20/h3-8,10,15-16,18H,9,11-14H2,1-2H3,(H,26,30)
InChIKeyWHXWLVIPRHJDCR-UHFFFAOYSA-N
XLogP3.02
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55709901
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975
(3S)-1-(4-chlorophenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 796278
(3S)-1-(4-chlorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 7337164
(3R)-N-benzyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 754074
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 15991912
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187460
(3R)-N-[(4-chlorophenyl)methyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393635
1-(4-chlorophenyl)-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 6471738
N-[(4-chlorophenyl)methyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188388
(3R)-1-(3-chlorophenyl)-5-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 25345668

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 55839591) is 1-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide is CC1CN(c2ccc(CNC(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)cn2)CC(C)O1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WHXWLVIPRHJDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3/c1-15-12-27(13-16(2)31-15)21-8-3-17(10-25-21)11-26-23(30)18-9-22(29)28(14-18)20-6-4-19(24)5-7-20/h3-8,10,15-16,18H,9,11-14H2,1-2H3,(H,26,30).
What are the key properties of 1-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 442.95 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55839591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).