N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide

C17H16F4N2O3S — CID 55380693

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2cccnc2SC(F)F)ccc1OC(F)F
InChIInChI=1S/C17H16F4N2O3S/c1-23(15(24)11-4-3-7-22-14(11)27-17(20)21)9-10-5-6-12(26-16(18)19)13(8-10)25-2/h3-8,16-17H,9H2,1-2H3
InChIKeyNIVIPKZVYGTUST-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.28
Rot. Bonds8

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide (PubChem CID 55380693) has the molecular formula C17H16F4N2O3S and a molecular weight of 404.39 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide
PubChem CID55380693
Molecular FormulaC17H16F4N2O3S
Molecular Weight404.39 g/mol
Exact Mass404.08
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2cccnc2SC(F)F)ccc1OC(F)F
InChIInChI=1S/C17H16F4N2O3S/c1-23(15(24)11-4-3-7-22-14(11)27-17(20)21)9-10-5-6-12(26-16(18)19)13(8-10)25-2/h3-8,16-17H,9H2,1-2H3
InChIKeyNIVIPKZVYGTUST-UHFFFAOYSA-N
XLogP4.28
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 18153483
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 18111604
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide
CID 24544420
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-hydroxy-N-methylbenzamide
CID 31153420
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 18160430
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,4-dimethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55818369
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-fluoro-N-methylpyridine-2-carboxamide
CID 84600803
2-(difluoromethylsulfanyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 55548799
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide
CID 55754801
N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide
CID 55328783
6-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,2-dimethylquinoline-3-carboxamide
CID 43036888
N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 9112314

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide (CID 55380693) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide is COc1cc(CN(C)C(=O)c2cccnc2SC(F)F)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide?
The InChIKey is NIVIPKZVYGTUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O3S/c1-23(15(24)11-4-3-7-22-14(11)27-17(20)21)9-10-5-6-12(26-16(18)19)13(8-10)25-2/h3-8,16-17H,9H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 55380693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).