1-(2,4-dimethylphenyl)-5-oxo-N-[2-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide

C25H25N3O3 — CID 46976154

IUPAC1-(2,4-dimethylphenyl)-5-oxo-N-[2-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccccc3OCc3ccccn3)CC2=O)c(C)c1
InChIInChI=1S/C25H25N3O3/c1-17-10-11-22(18(2)13-17)28-15-19(14-24(28)29)25(30)27-21-8-3-4-9-23(21)31-16-20-7-5-6-12-26-20/h3-13,19H,14-16H2,1-2H3,(H,27,30)
InChIKeyATZXILJMTQZAGV-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.27
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-5-oxo-N-[2-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide

1-(2,4-dimethylphenyl)-5-oxo-N-[2-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide (PubChem CID 46976154) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-5-oxo-N-[2-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-5-oxo-N-[2-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
PubChem CID46976154
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name1-(2,4-dimethylphenyl)-5-oxo-N-[2-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccccc3OCc3ccccn3)CC2=O)c(C)c1
InChIInChI=1S/C25H25N3O3/c1-17-10-11-22(18(2)13-17)28-15-19(14-24(28)29)25(30)27-21-8-3-4-9-23(21)31-16-20-7-5-6-12-26-20/h3-13,19H,14-16H2,1-2H3,(H,27,30)
InChIKeyATZXILJMTQZAGV-UHFFFAOYSA-N
XLogP4.27
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056213
1-(2,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160103
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186079
(3R)-N-(2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9098300
1-(2,4-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17152009
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 9107582
(3S)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2684734
1-(5-chloro-2-methylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187635
(3S)-1-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220419
1-(2,4-difluorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55618657
N-(4-chloro-2-methylphenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186061
(3R)-1-(2-chlorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056440

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-5-oxo-N-[2-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)-5-oxo-N-[2-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide (CID 46976154) is 1-(2,4-dimethylphenyl)-5-oxo-N-[2-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-5-oxo-N-[2-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)-5-oxo-N-[2-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3ccccc3OCc3ccccn3)CC2=O)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-5-oxo-N-[2-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is ATZXILJMTQZAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17-10-11-22(18(2)13-17)28-15-19(14-24(28)29)25(30)27-21-8-3-4-9-23(21)31-16-20-7-5-6-12-26-20/h3-13,19H,14-16H2,1-2H3,(H,27,30).
What are the key properties of 1-(2,4-dimethylphenyl)-5-oxo-N-[2-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide?
1-(2,4-dimethylphenyl)-5-oxo-N-[2-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-5-oxo-N-[2-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 46976154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).