2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide

C23H24N4O3S — CID 110246974

IUPAC2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(C)c(C2CCCN2C(=O)c2ccc(=O)n(CC(=O)Nc3nccs3)c2)c1
InChIInChI=1S/C23H24N4O3S/c1-15-5-6-16(2)18(12-15)19-4-3-10-27(19)22(30)17-7-8-21(29)26(13-17)14-20(28)25-23-24-9-11-31-23/h5-9,11-13,19H,3-4,10,14H2,1-2H3,(H,24,25,28)
InChIKeyHLFNMGWOJQIRTR-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.54
Rot. Bonds5

About 2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide

2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 110246974) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID110246974
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(C)c(C2CCCN2C(=O)c2ccc(=O)n(CC(=O)Nc3nccs3)c2)c1
InChIInChI=1S/C23H24N4O3S/c1-15-5-6-16(2)18(12-15)19-4-3-10-27(19)22(30)17-7-8-21(29)26(13-17)14-20(28)25-23-24-9-11-31-23/h5-9,11-13,19H,3-4,10,14H2,1-2H3,(H,24,25,28)
InChIKeyHLFNMGWOJQIRTR-UHFFFAOYSA-N
XLogP3.54
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide (CID 110246974) is 2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide is Cc1ccc(C)c(C2CCCN2C(=O)c2ccc(=O)n(CC(=O)Nc3nccs3)c2)c1.
What is the InChIKey of 2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is HLFNMGWOJQIRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-15-5-6-16(2)18(12-15)19-4-3-10-27(19)22(30)17-7-8-21(29)26(13-17)14-20(28)25-23-24-9-11-31-23/h5-9,11-13,19H,3-4,10,14H2,1-2H3,(H,24,25,28).
What are the key properties of 2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 436.54 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 110246974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).