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

C18H14F3N3OS — CID 59525728

IUPAC2-[(6-methyl-2-pyridinyl)amino]-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide
SMILESCc1cccc(Nc2sc(-c3cccc(C(F)(F)F)c3)cc2C(N)=O)n1
InChIInChI=1S/C18H14F3N3OS/c1-10-4-2-7-15(23-10)24-17-13(16(22)25)9-14(26-17)11-5-3-6-12(8-11)18(19,20)21/h2-9H,1H3,(H2,22,25)(H,23,24)
InChIKeyLINDYQCNJFSPNQ-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.98
Rot. Bonds4

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

2-[(6-methyl-2-pyridinyl)amino]-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide (PubChem CID 59525728) has the molecular formula C18H14F3N3OS and a molecular weight of 377.39 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)amino]-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)amino]-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide
PubChem CID59525728
Molecular FormulaC18H14F3N3OS
Molecular Weight377.39 g/mol
Exact Mass377.08
IUPAC Name2-[(6-methyl-2-pyridinyl)amino]-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide
SMILESCc1cccc(Nc2sc(-c3cccc(C(F)(F)F)c3)cc2C(N)=O)n1
InChIInChI=1S/C18H14F3N3OS/c1-10-4-2-7-15(23-10)24-17-13(16(22)25)9-14(26-17)11-5-3-6-12(8-11)18(19,20)21/h2-9H,1H3,(H2,22,25)(H,23,24)
InChIKeyLINDYQCNJFSPNQ-UHFFFAOYSA-N
XLogP4.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)amino]-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)amino]-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide (CID 59525728) is 2-[(6-methyl-2-pyridinyl)amino]-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)amino]-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)amino]-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide is Cc1cccc(Nc2sc(-c3cccc(C(F)(F)F)c3)cc2C(N)=O)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)amino]-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The InChIKey is LINDYQCNJFSPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3OS/c1-10-4-2-7-15(23-10)24-17-13(16(22)25)9-14(26-17)11-5-3-6-12(8-11)18(19,20)21/h2-9H,1H3,(H2,22,25)(H,23,24).
What are the key properties of 2-[(6-methyl-2-pyridinyl)amino]-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
2-[(6-methyl-2-pyridinyl)amino]-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide has a molecular weight of 377.39 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)amino]-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 59525728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).