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

C16H13F3N4OS — CID 1247357

IUPAC3-amino-6-methyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc(C)cc(C(F)(F)F)c3c2N)nc1
InChIInChI=1S/C16H13F3N4OS/c1-7-3-4-10(21-6-7)23-14(24)13-12(20)11-9(16(17,18)19)5-8(2)22-15(11)25-13/h3-6H,20H2,1-2H3,(H,21,23,24)
InChIKeyCLRCMLAYSUSULK-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.16
Rot. Bonds2

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

3-amino-6-methyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1247357) has the molecular formula C16H13F3N4OS and a molecular weight of 366.37 g/mol. Its IUPAC name is 3-amino-6-methyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID1247357
Molecular FormulaC16H13F3N4OS
Molecular Weight366.37 g/mol
Exact Mass366.08
IUPAC Name3-amino-6-methyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc(C)cc(C(F)(F)F)c3c2N)nc1
InChIInChI=1S/C16H13F3N4OS/c1-7-3-4-10(21-6-7)23-14(24)13-12(20)11-9(16(17,18)19)5-8(2)22-15(11)25-13/h3-6H,20H2,1-2H3,(H,21,23,24)
InChIKeyCLRCMLAYSUSULK-UHFFFAOYSA-N
XLogP4.16
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 1247357) is 3-amino-6-methyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(NC(=O)c2sc3nc(C)cc(C(F)(F)F)c3c2N)nc1.
What is the InChIKey of 3-amino-6-methyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is CLRCMLAYSUSULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4OS/c1-7-3-4-10(21-6-7)23-14(24)13-12(20)11-9(16(17,18)19)5-8(2)22-15(11)25-13/h3-6H,20H2,1-2H3,(H,21,23,24).
What are the key properties of 3-amino-6-methyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-methyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 366.37 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1247357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).