3-[(3S,4R)-3-formyl-2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl]-N,N-dimethylindole-1-carboxamide

C21H20N4O3S — CID 18658579

IUPAC3-[(3S,4R)-3-formyl-2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl]-N,N-dimethylindole-1-carboxamide
SMILESCN(C)C(=O)n1cc(C(=O)[C@@H]2CSN(c3cccnc3)[C@@H]2C=O)c2ccccc21
InChIInChI=1S/C21H20N4O3S/c1-23(2)21(28)24-11-16(15-7-3-4-8-18(15)24)20(27)17-13-29-25(19(17)12-26)14-6-5-9-22-10-14/h3-12,17,19H,13H2,1-2H3/t17-,19-/m1/s1
InChIKeyZPRZJDWFHXWWCK-IEBWSBKVSA-N
MW408.48 g/mol
LogP3.10
Rot. Bonds4

About 3-[(3S,4R)-3-formyl-2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl]-N,N-dimethylindole-1-carboxamide

3-[(3S,4R)-3-formyl-2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl]-N,N-dimethylindole-1-carboxamide (PubChem CID 18658579) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-[(3S,4R)-3-formyl-2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl]-N,N-dimethylindole-1-carboxamide.

Molecular Properties

Compound Name3-[(3S,4R)-3-formyl-2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl]-N,N-dimethylindole-1-carboxamide
PubChem CID18658579
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name3-[(3S,4R)-3-formyl-2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl]-N,N-dimethylindole-1-carboxamide
SMILESCN(C)C(=O)n1cc(C(=O)[C@@H]2CSN(c3cccnc3)[C@@H]2C=O)c2ccccc21
InChIInChI=1S/C21H20N4O3S/c1-23(2)21(28)24-11-16(15-7-3-4-8-18(15)24)20(27)17-13-29-25(19(17)12-26)14-6-5-9-22-10-14/h3-12,17,19H,13H2,1-2H3/t17-,19-/m1/s1
InChIKeyZPRZJDWFHXWWCK-IEBWSBKVSA-N
XLogP3.10
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(3S,4R)-3-formyl-2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl]-N,N-dimethylindole-1-carboxamide 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

3-[(3S,4S)-3-formyl-2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl]-N,N-dimethylindole-1-carboxamide
CID 18658581
N,N-dimethyl-3-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)indole-1-carboxamide
CID 57303606
N,N-dimethyl-3-(2-pyridin-3-yl-1,3-oxazolidine-4-carbonyl)indole-1-carboxamide
CID 57185908
6-fluoro-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
CID 10475985
4-[2-(dimethylcarbamoyl)-6-phenylmethoxy-1H-indole-3-carbonyl]-2-pyridin-3-yl-1,2-thiazolidine-3-carboxamide
CID 67835593
1-pyridin-3-ylindole-3-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 160804799
N,N-dimethyl-6-phenylmethoxy-3-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-4-carbonyl)indole-1-carboxamide;oxalic acid
CID 67809642
N-[2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]ethyl]acetamide
CID 10363235
2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetic acid;dihydrochloride
CID 45260555
(3R)-N,N-dimethyl-3-(4-pyridin-3-ylpiperazine-1-carbonyl)piperidine-1-carboxamide
CID 97191479
(3aR,6aS)-N,N-dimethyl-5-oxo-4-pyridin-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxamide
CID 125219710
2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid
CID 114391841

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-3-formyl-2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl]-N,N-dimethylindole-1-carboxamide?
The IUPAC name of 3-[(3S,4R)-3-formyl-2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl]-N,N-dimethylindole-1-carboxamide (CID 18658579) is 3-[(3S,4R)-3-formyl-2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl]-N,N-dimethylindole-1-carboxamide.
What is the SMILES notation for 3-[(3S,4R)-3-formyl-2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl]-N,N-dimethylindole-1-carboxamide?
The canonical SMILES for 3-[(3S,4R)-3-formyl-2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl]-N,N-dimethylindole-1-carboxamide is CN(C)C(=O)n1cc(C(=O)[C@@H]2CSN(c3cccnc3)[C@@H]2C=O)c2ccccc21.
What is the InChIKey of 3-[(3S,4R)-3-formyl-2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl]-N,N-dimethylindole-1-carboxamide?
The InChIKey is ZPRZJDWFHXWWCK-IEBWSBKVSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-23(2)21(28)24-11-16(15-7-3-4-8-18(15)24)20(27)17-13-29-25(19(17)12-26)14-6-5-9-22-10-14/h3-12,17,19H,13H2,1-2H3/t17-,19-/m1/s1.
What are the key properties of 3-[(3S,4R)-3-formyl-2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl]-N,N-dimethylindole-1-carboxamide?
3-[(3S,4R)-3-formyl-2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl]-N,N-dimethylindole-1-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-3-formyl-2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl]-N,N-dimethylindole-1-carboxamide is sourced from PubChem (CID 18658579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).