3-amino-N-[2-(dimethylamino)ethyl]-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C19H19F3N4OS — CID 2973496

IUPAC3-amino-N-[2-(dimethylamino)ethyl]-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C19H19F3N4OS/c1-26(2)9-8-24-17(27)16-15(23)14-12(19(20,21)22)10-13(25-18(14)28-16)11-6-4-3-5-7-11/h3-7,10H,8-9,23H2,1-2H3,(H,24,27)
InChIKeyRLPKUKUTIUFMHT-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.86
Rot. Bonds5

About 3-amino-N-[2-(dimethylamino)ethyl]-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-(dimethylamino)ethyl]-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 2973496) has the molecular formula C19H19F3N4OS and a molecular weight of 408.45 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)ethyl]-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)ethyl]-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID2973496
Molecular FormulaC19H19F3N4OS
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC Name3-amino-N-[2-(dimethylamino)ethyl]-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C19H19F3N4OS/c1-26(2)9-8-24-17(27)16-15(23)14-12(19(20,21)22)10-13(25-18(14)28-16)11-6-4-3-5-7-11/h3-7,10H,8-9,23H2,1-2H3,(H,24,27)
InChIKeyRLPKUKUTIUFMHT-UHFFFAOYSA-N
XLogP3.86
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)ethyl]-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)ethyl]-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 2973496) is 3-amino-N-[2-(dimethylamino)ethyl]-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)ethyl]-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)ethyl]-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is CN(C)CCNC(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)ethyl]-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is RLPKUKUTIUFMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4OS/c1-26(2)9-8-24-17(27)16-15(23)14-12(19(20,21)22)10-13(25-18(14)28-16)11-6-4-3-5-7-11/h3-7,10H,8-9,23H2,1-2H3,(H,24,27).
What are the key properties of 3-amino-N-[2-(dimethylamino)ethyl]-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-(dimethylamino)ethyl]-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)ethyl]-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 2973496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).