N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-5-methylthiophene-2-carboxamide

C17H11F4N3OS — CID 130472976

IUPACN-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cncc(F)c3)nc2C(F)(F)F)s1
InChIInChI=1S/C17H11F4N3OS/c1-9-2-5-14(26-9)16(25)24-13-4-3-12(23-15(13)17(19,20)21)10-6-11(18)8-22-7-10/h2-8H,1H3,(H,24,25)
InChIKeyHHXUNPOPJNKVLG-UHFFFAOYSA-N
MW381.35 g/mol
LogP4.92
Rot. Bonds3

About N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-5-methylthiophene-2-carboxamide

N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-5-methylthiophene-2-carboxamide (PubChem CID 130472976) has the molecular formula C17H11F4N3OS and a molecular weight of 381.35 g/mol. Its IUPAC name is N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-5-methylthiophene-2-carboxamide
PubChem CID130472976
Molecular FormulaC17H11F4N3OS
Molecular Weight381.35 g/mol
Exact Mass381.06
IUPAC NameN-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cncc(F)c3)nc2C(F)(F)F)s1
InChIInChI=1S/C17H11F4N3OS/c1-9-2-5-14(26-9)16(25)24-13-4-3-12(23-15(13)17(19,20)21)10-6-11(18)8-22-7-10/h2-8H,1H3,(H,24,25)
InChIKeyHHXUNPOPJNKVLG-UHFFFAOYSA-N
XLogP4.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-5-methylthiophene-2-carboxamide (CID 130472976) is N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(-c3cncc(F)c3)nc2C(F)(F)F)s1.
What is the InChIKey of N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-5-methylthiophene-2-carboxamide?
The InChIKey is HHXUNPOPJNKVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3OS/c1-9-2-5-14(26-9)16(25)24-13-4-3-12(23-15(13)17(19,20)21)10-6-11(18)8-22-7-10/h2-8H,1H3,(H,24,25).
What are the key properties of N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-5-methylthiophene-2-carboxamide?
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-5-methylthiophene-2-carboxamide has a molecular weight of 381.35 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 130472976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).