5-methyl-N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]thiophene-2-carboxamide

C18H14F3N3OS — CID 130472984

IUPAC5-methyl-N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]thiophene-2-carboxamide
SMILESCc1cncc(-c2ccc(NC(=O)c3ccc(C)s3)c(C(F)(F)F)n2)c1
InChIInChI=1S/C18H14F3N3OS/c1-10-7-12(9-22-8-10)13-4-5-14(16(23-13)18(19,20)21)24-17(25)15-6-3-11(2)26-15/h3-9H,1-2H3,(H,24,25)
InChIKeyITGSZSSFKGXJBB-UHFFFAOYSA-N
MW377.39 g/mol
LogP5.09
Rot. Bonds3

About 5-methyl-N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]thiophene-2-carboxamide

5-methyl-N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 130472984) has the molecular formula C18H14F3N3OS and a molecular weight of 377.39 g/mol. Its IUPAC name is 5-methyl-N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]thiophene-2-carboxamide
PubChem CID130472984
Molecular FormulaC18H14F3N3OS
Molecular Weight377.39 g/mol
Exact Mass377.08
IUPAC Name5-methyl-N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]thiophene-2-carboxamide
SMILESCc1cncc(-c2ccc(NC(=O)c3ccc(C)s3)c(C(F)(F)F)n2)c1
InChIInChI=1S/C18H14F3N3OS/c1-10-7-12(9-22-8-10)13-4-5-14(16(23-13)18(19,20)21)24-17(25)15-6-3-11(2)26-15/h3-9H,1-2H3,(H,24,25)
InChIKeyITGSZSSFKGXJBB-UHFFFAOYSA-N
XLogP5.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.39
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]thiophene-2-carboxamide (CID 130472984) is 5-methyl-N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]thiophene-2-carboxamide is Cc1cncc(-c2ccc(NC(=O)c3ccc(C)s3)c(C(F)(F)F)n2)c1.
What is the InChIKey of 5-methyl-N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is ITGSZSSFKGXJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3OS/c1-10-7-12(9-22-8-10)13-4-5-14(16(23-13)18(19,20)21)24-17(25)15-6-3-11(2)26-15/h3-9H,1-2H3,(H,24,25).
What are the key properties of 5-methyl-N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]thiophene-2-carboxamide?
5-methyl-N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 377.39 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 130472984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).