2-(4-oxo-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide

C16H22N4O2S — CID 129339827

IUPAC2-(4-oxo-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
SMILESO=C1CSCN1CC(=O)N(Cc1cccnc1)C[C@@H]1CCNC1
InChIInChI=1S/C16H22N4O2S/c21-15(10-20-12-23-11-16(20)22)19(9-14-3-5-18-7-14)8-13-2-1-4-17-6-13/h1-2,4,6,14,18H,3,5,7-12H2/t14-/m1/s1
InChIKeyPCGDJKJHYOYBFP-CQSZACIVSA-N
MW334.45 g/mol
LogP0.55
Rot. Bonds6

About 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide

2-(4-oxo-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide (PubChem CID 129339827) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
PubChem CID129339827
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name2-(4-oxo-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
SMILESO=C1CSCN1CC(=O)N(Cc1cccnc1)C[C@@H]1CCNC1
InChIInChI=1S/C16H22N4O2S/c21-15(10-20-12-23-11-16(20)22)19(9-14-3-5-18-7-14)8-13-2-1-4-17-6-13/h1-2,4,6,14,18H,3,5,7-12H2/t14-/m1/s1
InChIKeyPCGDJKJHYOYBFP-CQSZACIVSA-N
XLogP0.55
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide
CID 129343993
4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
CID 129343994
2-ethyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 128974215
(3R)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]oxane-3-carboxamide
CID 129343717
5-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 129337692
N-(cyclohexylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 42789358
N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 42293272
2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)ethanamine;hydrochloride
CID 128973446
N-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-3-ylpropanamide
CID 106628128
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-pyrazol-1-yl-N-(pyridin-3-ylmethyl)acetamide
CID 56854235
N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 129336675
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine;hydrochloride
CID 129005760

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide (CID 129339827) is 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide is O=C1CSCN1CC(=O)N(Cc1cccnc1)C[C@@H]1CCNC1.
What is the InChIKey of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is PCGDJKJHYOYBFP-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N4O2S/c21-15(10-20-12-23-11-16(20)22)19(9-14-3-5-18-7-14)8-13-2-1-4-17-6-13/h1-2,4,6,14,18H,3,5,7-12H2/t14-/m1/s1.
What are the key properties of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide?
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 334.45 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 129339827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).