N-[(2,4-difluorophenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide

C20H16F2N2OS — CID 24660756

IUPACN-[(2,4-difluorophenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1cccnc1Sc1ccccc1
InChIInChI=1S/C20H16F2N2OS/c1-24(13-14-9-10-15(21)12-18(14)22)20(25)17-8-5-11-23-19(17)26-16-6-3-2-4-7-16/h2-12H,13H2,1H3
InChIKeyZOORFAWVDIARQD-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.78
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide

N-[(2,4-difluorophenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide (PubChem CID 24660756) has the molecular formula C20H16F2N2OS and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
PubChem CID24660756
Molecular FormulaC20H16F2N2OS
Molecular Weight370.42 g/mol
Exact Mass370.10
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1cccnc1Sc1ccccc1
InChIInChI=1S/C20H16F2N2OS/c1-24(13-14-9-10-15(21)12-18(14)22)20(25)17-8-5-11-23-19(17)26-16-6-3-2-4-7-16/h2-12H,13H2,1H3
InChIKeyZOORFAWVDIARQD-UHFFFAOYSA-N
XLogP4.78
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 134046590
N-methyl-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 78770888
N-(furan-2-ylmethyl)-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 18160453
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 18160430
N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 62649068
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 18153483
2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 62072492
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 111596655
2-amino-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-N-methylbenzamide
CID 107074426
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 2525601
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 24638864
N-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 18153619

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide (CID 24660756) is N-[(2,4-difluorophenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide is CN(Cc1ccc(F)cc1F)C(=O)c1cccnc1Sc1ccccc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide?
The InChIKey is ZOORFAWVDIARQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2OS/c1-24(13-14-9-10-15(21)12-18(14)22)20(25)17-8-5-11-23-19(17)26-16-6-3-2-4-7-16/h2-12H,13H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide?
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 24660756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).