2,6-dimethyl-N-[(2R)-2-(4-methylsulfonylphenyl)propyl]pyridine-4-carboxamide

C18H22N2O3S — CID 164630131

IUPAC2,6-dimethyl-N-[(2R)-2-(4-methylsulfonylphenyl)propyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc(C)n1
InChIInChI=1S/C18H22N2O3S/c1-12(15-5-7-17(8-6-15)24(4,22)23)11-19-18(21)16-9-13(2)20-14(3)10-16/h5-10,12H,11H2,1-4H3,(H,19,21)/t12-/m0/s1
InChIKeyZQNXLVOJFNHFLU-LBPRGKRZSA-N
MW346.45 g/mol
LogP2.64
Rot. Bonds5

About 2,6-dimethyl-N-[(2R)-2-(4-methylsulfonylphenyl)propyl]pyridine-4-carboxamide

2,6-dimethyl-N-[(2R)-2-(4-methylsulfonylphenyl)propyl]pyridine-4-carboxamide (PubChem CID 164630131) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(2R)-2-(4-methylsulfonylphenyl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[(2R)-2-(4-methylsulfonylphenyl)propyl]pyridine-4-carboxamide
PubChem CID164630131
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2,6-dimethyl-N-[(2R)-2-(4-methylsulfonylphenyl)propyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc(C)n1
InChIInChI=1S/C18H22N2O3S/c1-12(15-5-7-17(8-6-15)24(4,22)23)11-19-18(21)16-9-13(2)20-14(3)10-16/h5-10,12H,11H2,1-4H3,(H,19,21)/t12-/m0/s1
InChIKeyZQNXLVOJFNHFLU-LBPRGKRZSA-N
XLogP2.64
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylsulfonyl-N-(2-phenylpropyl)benzamide
CID 42894359
N-[2-(4-fluorophenyl)propyl]-3,5-dimethylbenzamide
CID 110279716
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-methylsulfonylbenzamide
CID 94028989
N-(4-bromo-2-methylbutyl)-4-methylsulfonylbenzamide
CID 113276150
3-methyl-5-[2-(4-methylsulfonylphenyl)propylamino]benzoic acid
CID 166258589
4,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine
CID 94006047
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
CID 47022574
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
CID 55652815
4-(dimethylsulfamoyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 9301395
N-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9302382
4-[(4-methylphenyl)sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164353
4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9164348

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(2R)-2-(4-methylsulfonylphenyl)propyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[(2R)-2-(4-methylsulfonylphenyl)propyl]pyridine-4-carboxamide (CID 164630131) is 2,6-dimethyl-N-[(2R)-2-(4-methylsulfonylphenyl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[(2R)-2-(4-methylsulfonylphenyl)propyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[(2R)-2-(4-methylsulfonylphenyl)propyl]pyridine-4-carboxamide is Cc1cc(C(=O)NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[(2R)-2-(4-methylsulfonylphenyl)propyl]pyridine-4-carboxamide?
The InChIKey is ZQNXLVOJFNHFLU-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12(15-5-7-17(8-6-15)24(4,22)23)11-19-18(21)16-9-13(2)20-14(3)10-16/h5-10,12H,11H2,1-4H3,(H,19,21)/t12-/m0/s1.
What are the key properties of 2,6-dimethyl-N-[(2R)-2-(4-methylsulfonylphenyl)propyl]pyridine-4-carboxamide?
2,6-dimethyl-N-[(2R)-2-(4-methylsulfonylphenyl)propyl]pyridine-4-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(2R)-2-(4-methylsulfonylphenyl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 164630131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).