N,N-dimethyl-6-pyridin-3-yl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide

C25H23N5O2S — CID 10004279

IUPACN,N-dimethyl-6-pyridin-3-yl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
SMILESCN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(-c3cccnc3)cc21
InChIInChI=1S/C25H23N5O2S/c1-29(2)25(32)30-14-20(19-8-7-16(11-22(19)30)17-5-3-9-26-12-17)23(31)21-15-33-24(28-21)18-6-4-10-27-13-18/h3-14,21,24,28H,15H2,1-2H3/t21-,24?/m0/s1
InChIKeyGSUNTIMAZVIJEX-XEGCMXMBSA-N
MW457.56 g/mol
LogP4.21
Rot. Bonds4

About N,N-dimethyl-6-pyridin-3-yl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide

N,N-dimethyl-6-pyridin-3-yl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide (PubChem CID 10004279) has the molecular formula C25H23N5O2S and a molecular weight of 457.56 g/mol. Its IUPAC name is N,N-dimethyl-6-pyridin-3-yl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-pyridin-3-yl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
PubChem CID10004279
Molecular FormulaC25H23N5O2S
Molecular Weight457.56 g/mol
Exact Mass457.16
IUPAC NameN,N-dimethyl-6-pyridin-3-yl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
SMILESCN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(-c3cccnc3)cc21
InChIInChI=1S/C25H23N5O2S/c1-29(2)25(32)30-14-20(19-8-7-16(11-22(19)30)17-5-3-9-26-12-17)23(31)21-15-33-24(28-21)18-6-4-10-27-13-18/h3-14,21,24,28H,15H2,1-2H3/t21-,24?/m0/s1
InChIKeyGSUNTIMAZVIJEX-XEGCMXMBSA-N
XLogP4.21
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-6-pyridin-3-yl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide with MolForge

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Related Compounds

Abt-299
CID 9830503
N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
CID 9999825
6-benzoyl-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
CID 10005564
6-chloro-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
CID 10070431
6-bromo-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
CID 10344174
3-((R)-2-Pyridin-3-yl-thiazolidine-4-carbonyl)-indole-1-carboxylic acid tert-butyl ester
CID 10476623
N-[(2R,3S)-1-[2-acetyl-5-[(dimethylamino)methyl]anilino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-4-(thiophene-2-carbonyl)piperidine-1-carboxamide
CID 145966884
A 85783.0
CID 9957997
2-[6-(4-Fluoro-phenyl)-3-(3-pyridin-3-yl-1H-pyrrolo[1,2-c]thiazole-7-carbonyl)-indol-1-yl]-N,N-dimethyl-acetamide
CID 10324525
3-[3-((R)-2-Pyridin-3-yl-thiazolidine-4-carbonyl)-indol-1-yl]-propionic acid
CID 9999890
(1-Ethanesulfonyl-1H-indol-3-yl)-((R)-2-pyridin-3-yl-thiazolidin-4-yl)-methanone
CID 10001117
(6-Methyl-1H-indol-3-yl)-((R)-2-pyridin-3-yl-thiazolidin-4-yl)-methanone
CID 10019097

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-pyridin-3-yl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The IUPAC name of N,N-dimethyl-6-pyridin-3-yl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide (CID 10004279) is N,N-dimethyl-6-pyridin-3-yl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-pyridin-3-yl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The canonical SMILES for N,N-dimethyl-6-pyridin-3-yl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide is CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(-c3cccnc3)cc21.
What is the InChIKey of N,N-dimethyl-6-pyridin-3-yl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The InChIKey is GSUNTIMAZVIJEX-XEGCMXMBSA-N. The full InChI is InChI=1S/C25H23N5O2S/c1-29(2)25(32)30-14-20(19-8-7-16(11-22(19)30)17-5-3-9-26-12-17)23(31)21-15-33-24(28-21)18-6-4-10-27-13-18/h3-14,21,24,28H,15H2,1-2H3/t21-,24?/m0/s1.
What are the key properties of N,N-dimethyl-6-pyridin-3-yl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
N,N-dimethyl-6-pyridin-3-yl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide has a molecular weight of 457.56 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-pyridin-3-yl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide is sourced from PubChem (CID 10004279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).