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

C23H26N4O4S — CID 10004106

IUPAC6-(2-methoxyethoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
SMILESCOCCOc1ccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)cn(C(=O)N(C)C)c2c1
InChIInChI=1S/C23H26N4O4S/c1-26(2)23(29)27-13-18(17-7-6-16(11-20(17)27)31-10-9-30-3)21(28)19-14-32-22(25-19)15-5-4-8-24-12-15/h4-8,11-13,19,22,25H,9-10,14H2,1-3H3/t19-,22?/m0/s1
InChIKeyUCRIDOFBRIHGSQ-YDNXMHBPSA-N
MW454.55 g/mol
LogP3.18
Rot. Bonds7

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

6-(2-methoxyethoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide (PubChem CID 10004106) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
PubChem CID10004106
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name6-(2-methoxyethoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
SMILESCOCCOc1ccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)cn(C(=O)N(C)C)c2c1
InChIInChI=1S/C23H26N4O4S/c1-26(2)23(29)27-13-18(17-7-6-16(11-20(17)27)31-10-9-30-3)21(28)19-14-32-22(25-19)15-5-4-8-24-12-15/h4-8,11-13,19,22,25H,9-10,14H2,1-3H3/t19-,22?/m0/s1
InChIKeyUCRIDOFBRIHGSQ-YDNXMHBPSA-N
XLogP3.18
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The IUPAC name of 6-(2-methoxyethoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide (CID 10004106) is 6-(2-methoxyethoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide.
What is the SMILES notation for 6-(2-methoxyethoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The canonical SMILES for 6-(2-methoxyethoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide is COCCOc1ccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)cn(C(=O)N(C)C)c2c1.
What is the InChIKey of 6-(2-methoxyethoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The InChIKey is UCRIDOFBRIHGSQ-YDNXMHBPSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-26(2)23(29)27-13-18(17-7-6-16(11-20(17)27)31-10-9-30-3)21(28)19-14-32-22(25-19)15-5-4-8-24-12-15/h4-8,11-13,19,22,25H,9-10,14H2,1-3H3/t19-,22?/m0/s1.
What are the key properties of 6-(2-methoxyethoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
6-(2-methoxyethoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide is sourced from PubChem (CID 10004106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).