5-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide

C17H13F2N3OS — CID 59525628

IUPAC5-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
SMILESCc1cccc(Nc2sc(-c3ccc(F)cc3F)cc2C(N)=O)n1
InChIInChI=1S/C17H13F2N3OS/c1-9-3-2-4-15(21-9)22-17-12(16(20)23)8-14(24-17)11-6-5-10(18)7-13(11)19/h2-8H,1H3,(H2,20,23)(H,21,22)
InChIKeyAGPCFCFLRORQFL-UHFFFAOYSA-N
MW345.37 g/mol
LogP4.24
Rot. Bonds4

About 5-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide

5-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide (PubChem CID 59525628) has the molecular formula C17H13F2N3OS and a molecular weight of 345.37 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
PubChem CID59525628
Molecular FormulaC17H13F2N3OS
Molecular Weight345.37 g/mol
Exact Mass345.07
IUPAC Name5-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
SMILESCc1cccc(Nc2sc(-c3ccc(F)cc3F)cc2C(N)=O)n1
InChIInChI=1S/C17H13F2N3OS/c1-9-3-2-4-15(21-9)22-17-12(16(20)23)8-14(24-17)11-6-5-10(18)7-13(11)19/h2-8H,1H3,(H2,20,23)(H,21,22)
InChIKeyAGPCFCFLRORQFL-UHFFFAOYSA-N
XLogP4.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide?
The IUPAC name of 5-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide (CID 59525628) is 5-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 5-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide is Cc1cccc(Nc2sc(-c3ccc(F)cc3F)cc2C(N)=O)n1.
What is the InChIKey of 5-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide?
The InChIKey is AGPCFCFLRORQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3OS/c1-9-3-2-4-15(21-9)22-17-12(16(20)23)8-14(24-17)11-6-5-10(18)7-13(11)19/h2-8H,1H3,(H2,20,23)(H,21,22).
What are the key properties of 5-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide?
5-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 59525628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).