N-[[2-(3-methoxyphenyl)-5-methylsulfonylphenyl]methyl]pyridine-3-carboxamide

C21H20N2O4S — CID 140571949

IUPACN-[[2-(3-methoxyphenyl)-5-methylsulfonylphenyl]methyl]pyridine-3-carboxamide
SMILESCOc1cccc(-c2ccc(S(C)(=O)=O)cc2CNC(=O)c2cccnc2)c1
InChIInChI=1S/C21H20N2O4S/c1-27-18-7-3-5-15(11-18)20-9-8-19(28(2,25)26)12-17(20)14-23-21(24)16-6-4-10-22-13-16/h3-13H,14H2,1-2H3,(H,23,24)
InChIKeyVNNBFQZPIJOXDJ-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.09
Rot. Bonds6

About N-[[2-(3-methoxyphenyl)-5-methylsulfonylphenyl]methyl]pyridine-3-carboxamide

N-[[2-(3-methoxyphenyl)-5-methylsulfonylphenyl]methyl]pyridine-3-carboxamide (PubChem CID 140571949) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[[2-(3-methoxyphenyl)-5-methylsulfonylphenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(3-methoxyphenyl)-5-methylsulfonylphenyl]methyl]pyridine-3-carboxamide
PubChem CID140571949
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-[[2-(3-methoxyphenyl)-5-methylsulfonylphenyl]methyl]pyridine-3-carboxamide
SMILESCOc1cccc(-c2ccc(S(C)(=O)=O)cc2CNC(=O)c2cccnc2)c1
InChIInChI=1S/C21H20N2O4S/c1-27-18-7-3-5-15(11-18)20-9-8-19(28(2,25)26)12-17(20)14-23-21(24)16-6-4-10-22-13-16/h3-13H,14H2,1-2H3,(H,23,24)
InChIKeyVNNBFQZPIJOXDJ-UHFFFAOYSA-N
XLogP3.09
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(3-methylphenyl)-5-methylsulfonylphenyl]methyl]pyridine-3-carboxamide
CID 140571976
N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 110784319
2-(pyridine-3-carbonylamino)ethyl 3-methoxybenzoate chloride
CID 21236630
4-(2-hydroxyphenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]benzamide
CID 118928930
N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide
CID 24743430
(3-methoxyphenyl) 2-(pyridine-3-carbonylamino)ethyl carbonate;hydrochloride
CID 154774391
3-methoxy-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148255
N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-3-phenylpyridine-4-carboxamide
CID 118916588
N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 175769075
N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylsulfonylbenzamide
CID 51317141
N-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine-3-carboxamide
CID 157371621
1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 43321352

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxyphenyl)-5-methylsulfonylphenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[2-(3-methoxyphenyl)-5-methylsulfonylphenyl]methyl]pyridine-3-carboxamide (CID 140571949) is N-[[2-(3-methoxyphenyl)-5-methylsulfonylphenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(3-methoxyphenyl)-5-methylsulfonylphenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[2-(3-methoxyphenyl)-5-methylsulfonylphenyl]methyl]pyridine-3-carboxamide is COc1cccc(-c2ccc(S(C)(=O)=O)cc2CNC(=O)c2cccnc2)c1.
What is the InChIKey of N-[[2-(3-methoxyphenyl)-5-methylsulfonylphenyl]methyl]pyridine-3-carboxamide?
The InChIKey is VNNBFQZPIJOXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-27-18-7-3-5-15(11-18)20-9-8-19(28(2,25)26)12-17(20)14-23-21(24)16-6-4-10-22-13-16/h3-13H,14H2,1-2H3,(H,23,24).
What are the key properties of N-[[2-(3-methoxyphenyl)-5-methylsulfonylphenyl]methyl]pyridine-3-carboxamide?
N-[[2-(3-methoxyphenyl)-5-methylsulfonylphenyl]methyl]pyridine-3-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxyphenyl)-5-methylsulfonylphenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 140571949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).