N-(4-fluorophenyl)-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide

C17H13FN2OS — CID 166218181

IUPACN-(4-fluorophenyl)-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
SMILESCc1cnccc1-c1ccc(C(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C17H13FN2OS/c1-11-10-19-9-8-14(11)15-6-7-16(22-15)17(21)20-13-4-2-12(18)3-5-13/h2-10H,1H3,(H,20,21)
InChIKeyLLIHEIVGNWMHBB-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.51
Rot. Bonds3

About N-(4-fluorophenyl)-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide

N-(4-fluorophenyl)-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide (PubChem CID 166218181) has the molecular formula C17H13FN2OS and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
PubChem CID166218181
Molecular FormulaC17H13FN2OS
Molecular Weight312.37 g/mol
Exact Mass312.07
IUPAC NameN-(4-fluorophenyl)-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
SMILESCc1cnccc1-c1ccc(C(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C17H13FN2OS/c1-11-10-19-9-8-14(11)15-6-7-16(22-15)17(21)20-13-4-2-12(18)3-5-13/h2-10H,1H3,(H,20,21)
InChIKeyLLIHEIVGNWMHBB-UHFFFAOYSA-N
XLogP4.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110858696
5-(3-methyl-4-pyridinyl)-N-(1-quinoxalin-2-ylpyrazol-4-yl)thiophene-2-carboxamide
CID 166218458
N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
CID 166218469
5-(3-methyl-4-pyridinyl)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide
CID 167783405
5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 46518220
N-(4-chlorophenyl)-5-pyridin-4-ylthiophene-2-carboxamide
CID 11493386
5-(4-fluorophenyl)-N-[4-(methanesulfonamido)phenyl]thiophene-2-carboxamide
CID 34438299
3-methyl-4-(5-methylthiophen-2-yl)pyridine
CID 163257476
N-[(2-chloro-4-iodophenyl)methyl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
CID 155967003
N-(4-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 5299224
N-[4-(cyclopropanecarbonylamino)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 18282772
N-(4-chlorophenyl)-5-(3-cyanophenyl)thiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-(4-hydroxyphenyl)thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide
CID 161298223

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide (CID 166218181) is N-(4-fluorophenyl)-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide is Cc1cnccc1-c1ccc(C(=O)Nc2ccc(F)cc2)s1.
What is the InChIKey of N-(4-fluorophenyl)-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide?
The InChIKey is LLIHEIVGNWMHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2OS/c1-11-10-19-9-8-14(11)15-6-7-16(22-15)17(21)20-13-4-2-12(18)3-5-13/h2-10H,1H3,(H,20,21).
What are the key properties of N-(4-fluorophenyl)-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide?
N-(4-fluorophenyl)-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 166218181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).