1-(3,5-dimethylphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide

C20H23N3O2 — CID 46109979

IUPAC1-(3,5-dimethylphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2CC(C(=O)NCCc3ccccn3)CC2=O)c1
InChIInChI=1S/C20H23N3O2/c1-14-9-15(2)11-18(10-14)23-13-16(12-19(23)24)20(25)22-8-6-17-5-3-4-7-21-17/h3-5,7,9-11,16H,6,8,12-13H2,1-2H3,(H,22,25)
InChIKeySREQZGHFDXDEAE-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.41
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide

1-(3,5-dimethylphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 46109979) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
PubChem CID46109979
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-(3,5-dimethylphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2CC(C(=O)NCCc3ccccn3)CC2=O)c1
InChIInChI=1S/C20H23N3O2/c1-14-9-15(2)11-18(10-14)23-13-16(12-19(23)24)20(25)22-8-6-17-5-3-4-7-21-17/h3-5,7,9-11,16H,6,8,12-13H2,1-2H3,(H,22,25)
InChIKeySREQZGHFDXDEAE-UHFFFAOYSA-N
XLogP2.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 24628562
1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 154563363
(3R)-1-(3,5-dimethylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 40965916
(3S)-1-cyclopentyl-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 94181168
1-(3,5-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17120911
(3S)-1-(1H-indazol-3-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 97264342
1-(3,5-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186176
(3S)-5-oxo-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1-phenylpyrrolidine-3-carboxamide
CID 39047766
(3S)-1-(4-bromo-3-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 25348516
(3R)-1-(3,5-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 28893428
(3S)-5-oxo-1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 93018322
5-oxo-1-phenyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 110624904

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide (CID 46109979) is 1-(3,5-dimethylphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide is Cc1cc(C)cc(N2CC(C(=O)NCCc3ccccn3)CC2=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is SREQZGHFDXDEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-9-15(2)11-18(10-14)23-13-16(12-19(23)24)20(25)22-8-6-17-5-3-4-7-21-17/h3-5,7,9-11,16H,6,8,12-13H2,1-2H3,(H,22,25).
What are the key properties of 1-(3,5-dimethylphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?
1-(3,5-dimethylphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 46109979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).