N-(dimethylaminomethylidene)-3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide

C18H14F3N3OS — CID 3545772

IUPACN-(dimethylaminomethylidene)-3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide
SMILESCN(C)/C=N/C(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccc1
InChIInChI=1S/C18H14F3N3OS/c1-24(2)10-23-17(25)16-14(11-6-4-3-5-7-11)15-13(26-16)8-12(9-22-15)18(19,20)21/h3-10H,1-2H3/b23-10+
InChIKeyOCQVAMHRNGYEFE-AUEPDCJTSA-N
MW377.39 g/mol
LogP4.71
Rot. Bonds3

About N-(dimethylaminomethylidene)-3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide

N-(dimethylaminomethylidene)-3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 3545772) has the molecular formula C18H14F3N3OS and a molecular weight of 377.39 g/mol. Its IUPAC name is N-(dimethylaminomethylidene)-3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(dimethylaminomethylidene)-3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide
PubChem CID3545772
Molecular FormulaC18H14F3N3OS
Molecular Weight377.39 g/mol
Exact Mass377.08
IUPAC NameN-(dimethylaminomethylidene)-3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide
SMILESCN(C)/C=N/C(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccc1
InChIInChI=1S/C18H14F3N3OS/c1-24(2)10-23-17(25)16-14(11-6-4-3-5-7-11)15-13(26-16)8-12(9-22-15)18(19,20)21/h3-10H,1-2H3/b23-10+
InChIKeyOCQVAMHRNGYEFE-AUEPDCJTSA-N
XLogP4.71
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylaminomethylidene)-3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-(dimethylaminomethylidene)-3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide (CID 3545772) is N-(dimethylaminomethylidene)-3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(dimethylaminomethylidene)-3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-(dimethylaminomethylidene)-3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide is CN(C)/C=N/C(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccc1.
What is the InChIKey of N-(dimethylaminomethylidene)-3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is OCQVAMHRNGYEFE-AUEPDCJTSA-N. The full InChI is InChI=1S/C18H14F3N3OS/c1-24(2)10-23-17(25)16-14(11-6-4-3-5-7-11)15-13(26-16)8-12(9-22-15)18(19,20)21/h3-10H,1-2H3/b23-10+.
What are the key properties of N-(dimethylaminomethylidene)-3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide?
N-(dimethylaminomethylidene)-3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 377.39 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylaminomethylidene)-3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 3545772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).