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

C17H13F2N3OS — CID 59525760

IUPAC5-(2,3-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
SMILESCc1cccc(Nc2sc(-c3cccc(F)c3F)cc2C(N)=O)n1
InChIInChI=1S/C17H13F2N3OS/c1-9-4-2-7-14(21-9)22-17-11(16(20)23)8-13(24-17)10-5-3-6-12(18)15(10)19/h2-8H,1H3,(H2,20,23)(H,21,22)
InChIKeyTZVGQLGCOMURSY-UHFFFAOYSA-N
MW345.37 g/mol
LogP4.24
Rot. Bonds4

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

5-(2,3-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide (PubChem CID 59525760) has the molecular formula C17H13F2N3OS and a molecular weight of 345.37 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
PubChem CID59525760
Molecular FormulaC17H13F2N3OS
Molecular Weight345.37 g/mol
Exact Mass345.07
IUPAC Name5-(2,3-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
SMILESCc1cccc(Nc2sc(-c3cccc(F)c3F)cc2C(N)=O)n1
InChIInChI=1S/C17H13F2N3OS/c1-9-4-2-7-14(21-9)22-17-11(16(20)23)8-13(24-17)10-5-3-6-12(18)15(10)19/h2-8H,1H3,(H2,20,23)(H,21,22)
InChIKeyTZVGQLGCOMURSY-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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Related Compounds

2-Sulfanyl-7-(thiophen-2-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-ol
CID 5678845
4-fluoro-N-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide
CID 1263771
2-fluoro-N-({[4-thien-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]amino}carbonyl)benzamide
CID 1516842
2-(1-benzothiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one
CID 5470948
5-(2-Fluorophenyl)-2-{[6-(morpholin-4-ylmethyl)pyridin-2-yl]-amino}thiophene-3-carboxamide
CID 25123487
5-Phenyl-2-(pyridin-2-ylamino)thiophene-3-carboxamide
CID 25127137
2-[(6-Methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127138
2-[(4-Methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127139
2-[(5-Methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127140
2-[(5-Fluoro-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127142
2-[(4-Fluoro-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127144
2-[(5-Cyano-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127461

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide?
The IUPAC name of 5-(2,3-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide (CID 59525760) is 5-(2,3-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-(2,3-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 5-(2,3-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide is Cc1cccc(Nc2sc(-c3cccc(F)c3F)cc2C(N)=O)n1.
What is the InChIKey of 5-(2,3-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide?
The InChIKey is TZVGQLGCOMURSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3OS/c1-9-4-2-7-14(21-9)22-17-11(16(20)23)8-13(24-17)10-5-3-6-12(18)15(10)19/h2-8H,1H3,(H2,20,23)(H,21,22).
What are the key properties of 5-(2,3-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide?
5-(2,3-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-(2,3-difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 59525760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).