2-[3-[2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide

C23H24N4O3S — CID 110246831

IUPAC2-[3-[2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(C2CCCN2C(=O)c2cccn(CC(=O)Nc3nccs3)c2=O)cc1C
InChIInChI=1S/C23H24N4O3S/c1-15-7-8-17(13-16(15)2)19-6-4-11-27(19)22(30)18-5-3-10-26(21(18)29)14-20(28)25-23-24-9-12-31-23/h3,5,7-10,12-13,19H,4,6,11,14H2,1-2H3,(H,24,25,28)
InChIKeyYTUXFDBBIIIECC-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.54
Rot. Bonds5

About 2-[3-[2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide

2-[3-[2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 110246831) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 2-[3-[2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-[2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID110246831
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name2-[3-[2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(C2CCCN2C(=O)c2cccn(CC(=O)Nc3nccs3)c2=O)cc1C
InChIInChI=1S/C23H24N4O3S/c1-15-7-8-17(13-16(15)2)19-6-4-11-27(19)22(30)18-5-3-10-26(21(18)29)14-20(28)25-23-24-9-12-31-23/h3,5,7-10,12-13,19H,4,6,11,14H2,1-2H3,(H,24,25,28)
InChIKeyYTUXFDBBIIIECC-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

Analyze 2-[3-[2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-2-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide
CID 92635216
2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 110246974
N-benzyl-1-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92635526
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 46758046
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 31700678
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 47019585
1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 94824254
(2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95286227
2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110688880
3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124509659
2-[(5aS,8aS)-1-(2,3-dimethoxybenzoyl)-2,3,4,5,5a,6,8,8a-octahydropyrrolo[3,4-b]azepin-7-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 110152564
2-[(3R)-3-pyridin-4-ylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 125143187

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-[2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide (CID 110246831) is 2-[3-[2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-[2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-[2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide is Cc1ccc(C2CCCN2C(=O)c2cccn(CC(=O)Nc3nccs3)c2=O)cc1C.
What is the InChIKey of 2-[3-[2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is YTUXFDBBIIIECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-15-7-8-17(13-16(15)2)19-6-4-11-27(19)22(30)18-5-3-10-26(21(18)29)14-20(28)25-23-24-9-12-31-23/h3,5,7-10,12-13,19H,4,6,11,14H2,1-2H3,(H,24,25,28).
What are the key properties of 2-[3-[2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[3-[2-(3,4-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-[3-[2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 110246831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).