N-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide

C20H17FN2OS — CID 18153619

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cccnc2Sc2ccccc2)cc1F
InChIInChI=1S/C20H17FN2OS/c1-14-9-10-15(12-18(14)21)13-23-19(24)17-8-5-11-22-20(17)25-16-6-3-2-4-7-16/h2-12H,13H2,1H3,(H,23,24)
InChIKeyDXIYBIXVHYHLDN-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.61
Rot. Bonds5

About N-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide

N-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide (PubChem CID 18153619) has the molecular formula C20H17FN2OS and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
PubChem CID18153619
Molecular FormulaC20H17FN2OS
Molecular Weight352.43 g/mol
Exact Mass352.10
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cccnc2Sc2ccccc2)cc1F
InChIInChI=1S/C20H17FN2OS/c1-14-9-10-15(12-18(14)21)13-23-19(24)17-8-5-11-22-20(17)25-16-6-3-2-4-7-16/h2-12H,13H2,1H3,(H,23,24)
InChIKeyDXIYBIXVHYHLDN-UHFFFAOYSA-N
XLogP4.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 55662586
2-phenylsulfanyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 30377466
2-phenylsulfanyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 46400204
2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 24628486
N-hexyl-2-phenylsulfanylpyridine-3-carboxamide
CID 32647200
N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 111428918
2-phenylsulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide
CID 18153772
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 32587833
N-[2-(3-methoxyphenoxy)ethyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 46399858
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 43019372
N-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 26115014
N-(2-benzamidoethyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 38196668

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide (CID 18153619) is N-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide is Cc1ccc(CNC(=O)c2cccnc2Sc2ccccc2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide?
The InChIKey is DXIYBIXVHYHLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2OS/c1-14-9-10-15(12-18(14)21)13-23-19(24)17-8-5-11-22-20(17)25-16-6-3-2-4-7-16/h2-12H,13H2,1H3,(H,23,24).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide?
N-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 18153619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).