N-methyl-N-phenyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide

C25H22N4O2S — CID 11744076

IUPACN-methyl-N-phenyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
SMILESCN(C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21)c1ccccc1
InChIInChI=1S/C25H22N4O2S/c1-28(18-9-3-2-4-10-18)25(31)29-15-20(19-11-5-6-12-22(19)29)23(30)21-16-32-24(27-21)17-8-7-13-26-14-17/h2-15,21,24,27H,16H2,1H3/t21-,24?/m0/s1
InChIKeyQCQJKCIAEVNGSS-XEGCMXMBSA-N
MW442.54 g/mol
LogP4.73
Rot. Bonds4

About N-methyl-N-phenyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide

N-methyl-N-phenyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide (PubChem CID 11744076) has the molecular formula C25H22N4O2S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-methyl-N-phenyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
PubChem CID11744076
Molecular FormulaC25H22N4O2S
Molecular Weight442.54 g/mol
Exact Mass442.15
IUPAC NameN-methyl-N-phenyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
SMILESCN(C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21)c1ccccc1
InChIInChI=1S/C25H22N4O2S/c1-28(18-9-3-2-4-10-18)25(31)29-15-20(19-11-5-6-12-22(19)29)23(30)21-16-32-24(27-21)17-8-7-13-26-14-17/h2-15,21,24,27H,16H2,1H3/t21-,24?/m0/s1
InChIKeyQCQJKCIAEVNGSS-XEGCMXMBSA-N
XLogP4.73
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-phenyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-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

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The IUPAC name of N-methyl-N-phenyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide (CID 11744076) is N-methyl-N-phenyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide is CN(C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The InChIKey is QCQJKCIAEVNGSS-XEGCMXMBSA-N. The full InChI is InChI=1S/C25H22N4O2S/c1-28(18-9-3-2-4-10-18)25(31)29-15-20(19-11-5-6-12-22(19)29)23(30)21-16-32-24(27-21)17-8-7-13-26-14-17/h2-15,21,24,27H,16H2,1H3/t21-,24?/m0/s1.
What are the key properties of N-methyl-N-phenyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
N-methyl-N-phenyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide is sourced from PubChem (CID 11744076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).