N-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide

C16H17FN2OS — CID 46489598

IUPACN-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide
SMILESCC(C)Sc1ncccc1C(=O)NCc1ccccc1F
InChIInChI=1S/C16H17FN2OS/c1-11(2)21-16-13(7-5-9-18-16)15(20)19-10-12-6-3-4-8-14(12)17/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyGQYBTPWVBBVAMU-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.65
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide

N-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide (PubChem CID 46489598) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide
PubChem CID46489598
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC NameN-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide
SMILESCC(C)Sc1ncccc1C(=O)NCc1ccccc1F
InChIInChI=1S/C16H17FN2OS/c1-11(2)21-16-13(7-5-9-18-16)15(20)19-10-12-6-3-4-8-14(12)17/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyGQYBTPWVBBVAMU-UHFFFAOYSA-N
XLogP3.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide
CID 47038893
N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 62247960
2-(difluoromethylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 17429690
2-(difluoromethylsulfanyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24551024
N-[(2-fluorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31900375
2-propan-2-ylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
CID 55613755
N-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 110704366
2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
CID 43397101
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
N-[(2-fluorophenyl)methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 53080214
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide
CID 47038910
2-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148188

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide (CID 46489598) is N-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide is CC(C)Sc1ncccc1C(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide?
The InChIKey is GQYBTPWVBBVAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-11(2)21-16-13(7-5-9-18-16)15(20)19-10-12-6-3-4-8-14(12)17/h3-9,11H,10H2,1-2H3,(H,19,20).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide?
N-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 46489598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).