4-(4-fluorophenyl)-N,5-dimethyl-N-pyridin-3-ylthiophene-2-carboxamide

C18H15FN2OS — CID 86778846

IUPAC4-(4-fluorophenyl)-N,5-dimethyl-N-pyridin-3-ylthiophene-2-carboxamide
SMILESCc1sc(C(=O)N(C)c2cccnc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN2OS/c1-12-16(13-5-7-14(19)8-6-13)10-17(23-12)18(22)21(2)15-4-3-9-20-11-15/h3-11H,1-2H3
InChIKeyJOCGZJIEDIGWAQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.53
Rot. Bonds3

About 4-(4-fluorophenyl)-N,5-dimethyl-N-pyridin-3-ylthiophene-2-carboxamide

4-(4-fluorophenyl)-N,5-dimethyl-N-pyridin-3-ylthiophene-2-carboxamide (PubChem CID 86778846) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N,5-dimethyl-N-pyridin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N,5-dimethyl-N-pyridin-3-ylthiophene-2-carboxamide
PubChem CID86778846
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC Name4-(4-fluorophenyl)-N,5-dimethyl-N-pyridin-3-ylthiophene-2-carboxamide
SMILESCc1sc(C(=O)N(C)c2cccnc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN2OS/c1-12-16(13-5-7-14(19)8-6-13)10-17(23-12)18(22)21(2)15-4-3-9-20-11-15/h3-11H,1-2H3
InChIKeyJOCGZJIEDIGWAQ-UHFFFAOYSA-N
XLogP4.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-N,5-dimethyl-N-(pyrazin-2-ylmethyl)thiophene-2-carboxamide
CID 71856751
4-(4-fluorophenyl)-N,5-dimethyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119444644
4-(4-fluorophenyl)-5-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 97050777
5-chloro-2-iodo-N-methyl-N-pyridin-3-ylbenzamide
CID 113236277
[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-piperazin-1-ylmethanone
CID 119403968
methyl N-[5-[2-[(4-fluorophenyl)-methylcarbamoyl]thieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate
CID 177337145
N-methyl-N-pyridin-3-ylcarbamoyl chloride
CID 115194564
N,6-dimethyl-4-(methylamino)-N-pyridin-3-ylpyridine-3-carboxamide
CID 81242111
6-fluoro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide
CID 29199446
6-[[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]amino]hexanoic acid
CID 119352190
4-hydrazinyl-N,6-dimethyl-N-pyridin-3-ylpyridine-3-carboxamide
CID 81249779
[2-[methyl(pyridin-3-yl)amino]-2-oxoethyl]carbamic acid
CID 174507293

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N,5-dimethyl-N-pyridin-3-ylthiophene-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N,5-dimethyl-N-pyridin-3-ylthiophene-2-carboxamide (CID 86778846) is 4-(4-fluorophenyl)-N,5-dimethyl-N-pyridin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N,5-dimethyl-N-pyridin-3-ylthiophene-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N,5-dimethyl-N-pyridin-3-ylthiophene-2-carboxamide is Cc1sc(C(=O)N(C)c2cccnc2)cc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N,5-dimethyl-N-pyridin-3-ylthiophene-2-carboxamide?
The InChIKey is JOCGZJIEDIGWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS/c1-12-16(13-5-7-14(19)8-6-13)10-17(23-12)18(22)21(2)15-4-3-9-20-11-15/h3-11H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-N,5-dimethyl-N-pyridin-3-ylthiophene-2-carboxamide?
4-(4-fluorophenyl)-N,5-dimethyl-N-pyridin-3-ylthiophene-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N,5-dimethyl-N-pyridin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 86778846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).