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

C27H24N4O3S — CID 10005564

IUPAC6-benzoyl-N,N-dimethyl-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(C(=O)c3ccccc3)cc21
InChIInChI=1S/C27H24N4O3S/c1-30(2)27(34)31-15-21(25(33)22-16-35-26(29-22)19-9-6-12-28-14-19)20-11-10-18(13-23(20)31)24(32)17-7-4-3-5-8-17/h3-15,22,26,29H,16H2,1-2H3/t22-,26?/m0/s1
InChIKeyHEFLLZIDBMPCHI-CHQVSRGASA-N
MW484.58 g/mol
LogP4.38
Rot. Bonds5

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

6-benzoyl-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide (PubChem CID 10005564) has the molecular formula C27H24N4O3S and a molecular weight of 484.58 g/mol. Its IUPAC name is 6-benzoyl-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide.

Molecular Properties

Compound Name6-benzoyl-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
PubChem CID10005564
Molecular FormulaC27H24N4O3S
Molecular Weight484.58 g/mol
Exact Mass484.16
IUPAC Name6-benzoyl-N,N-dimethyl-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(C(=O)c3ccccc3)cc21
InChIInChI=1S/C27H24N4O3S/c1-30(2)27(34)31-15-21(25(33)22-16-35-26(29-22)19-9-6-12-28-14-19)20-11-10-18(13-23(20)31)24(32)17-7-4-3-5-8-17/h3-15,22,26,29H,16H2,1-2H3/t22-,26?/m0/s1
InChIKeyHEFLLZIDBMPCHI-CHQVSRGASA-N
XLogP4.38
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The IUPAC name of 6-benzoyl-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide (CID 10005564) is 6-benzoyl-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide.
What is the SMILES notation for 6-benzoyl-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The canonical SMILES for 6-benzoyl-N,N-dimethyl-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(C(=O)c3ccccc3)cc21.
What is the InChIKey of 6-benzoyl-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The InChIKey is HEFLLZIDBMPCHI-CHQVSRGASA-N. The full InChI is InChI=1S/C27H24N4O3S/c1-30(2)27(34)31-15-21(25(33)22-16-35-26(29-22)19-9-6-12-28-14-19)20-11-10-18(13-23(20)31)24(32)17-7-4-3-5-8-17/h3-15,22,26,29H,16H2,1-2H3/t22-,26?/m0/s1.
What are the key properties of 6-benzoyl-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
6-benzoyl-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide has a molecular weight of 484.58 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide is sourced from PubChem (CID 10005564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).