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

C19H18F3N3OS — CID 1157648

IUPAC3-amino-N,N-diethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C19H18F3N3OS/c1-3-25(4-2)18(26)16-15(23)14-12(19(20,21)22)10-13(24-17(14)27-16)11-8-6-5-7-9-11/h5-10H,3-4,23H2,1-2H3
InChIKeyWNFBFNAOFCXDDM-UHFFFAOYSA-N
MW393.43 g/mol
LogP5.05
Rot. Bonds4

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

3-amino-N,N-diethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1157648) has the molecular formula C19H18F3N3OS and a molecular weight of 393.43 g/mol. Its IUPAC name is 3-amino-N,N-diethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-diethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID1157648
Molecular FormulaC19H18F3N3OS
Molecular Weight393.43 g/mol
Exact Mass393.11
IUPAC Name3-amino-N,N-diethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C19H18F3N3OS/c1-3-25(4-2)18(26)16-15(23)14-12(19(20,21)22)10-13(24-17(14)27-16)11-8-6-5-7-9-11/h5-10H,3-4,23H2,1-2H3
InChIKeyWNFBFNAOFCXDDM-UHFFFAOYSA-N
XLogP5.05
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.43
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-diethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N,N-diethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 1157648) is 3-amino-N,N-diethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N,N-diethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N,N-diethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is CCN(CC)C(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N.
What is the InChIKey of 3-amino-N,N-diethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WNFBFNAOFCXDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3OS/c1-3-25(4-2)18(26)16-15(23)14-12(19(20,21)22)10-13(24-17(14)27-16)11-8-6-5-7-9-11/h5-10H,3-4,23H2,1-2H3.
What are the key properties of 3-amino-N,N-diethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N,N-diethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-diethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1157648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).