3-amino-N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C19H13F3N4OS2 — CID 1247368

IUPAC3-amino-N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc(C(F)(F)F)cc(-c4cccs4)c3c2N)nc1
InChIInChI=1S/C19H13F3N4OS2/c1-9-4-5-13(24-8-9)26-17(27)16-15(23)14-10(11-3-2-6-28-11)7-12(19(20,21)22)25-18(14)29-16/h2-8H,23H2,1H3,(H,24,26,27)
InChIKeyJDVSWUMKHLOYLX-UHFFFAOYSA-N
MW434.47 g/mol
LogP5.58
Rot. Bonds3

About 3-amino-N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1247368) has the molecular formula C19H13F3N4OS2 and a molecular weight of 434.47 g/mol. Its IUPAC name is 3-amino-N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID1247368
Molecular FormulaC19H13F3N4OS2
Molecular Weight434.47 g/mol
Exact Mass434.05
IUPAC Name3-amino-N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc(C(F)(F)F)cc(-c4cccs4)c3c2N)nc1
InChIInChI=1S/C19H13F3N4OS2/c1-9-4-5-13(24-8-9)26-17(27)16-15(23)14-10(11-3-2-6-28-11)7-12(19(20,21)22)25-18(14)29-16/h2-8H,23H2,1H3,(H,24,26,27)
InChIKeyJDVSWUMKHLOYLX-UHFFFAOYSA-N
XLogP5.58
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.47
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 1247368) is 3-amino-N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(NC(=O)c2sc3nc(C(F)(F)F)cc(-c4cccs4)c3c2N)nc1.
What is the InChIKey of 3-amino-N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is JDVSWUMKHLOYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4OS2/c1-9-4-5-13(24-8-9)26-17(27)16-15(23)14-10(11-3-2-6-28-11)7-12(19(20,21)22)25-18(14)29-16/h2-8H,23H2,1H3,(H,24,26,27).
What are the key properties of 3-amino-N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 5.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1247368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).