N,N-dimethyl-2-(4-methylsulfonylphenyl)pyridine-3-carboxamide

C15H16N2O3S — CID 74236581

IUPACN,N-dimethyl-2-(4-methylsulfonylphenyl)pyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H16N2O3S/c1-17(2)15(18)13-5-4-10-16-14(13)11-6-8-12(9-7-11)21(3,19)20/h4-10H,1-3H3
InChIKeyPJOMMZPORWXJKV-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.85
Rot. Bonds3

About N,N-dimethyl-2-(4-methylsulfonylphenyl)pyridine-3-carboxamide

N,N-dimethyl-2-(4-methylsulfonylphenyl)pyridine-3-carboxamide (PubChem CID 74236581) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methylsulfonylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methylsulfonylphenyl)pyridine-3-carboxamide
PubChem CID74236581
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN,N-dimethyl-2-(4-methylsulfonylphenyl)pyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H16N2O3S/c1-17(2)15(18)13-5-4-10-16-14(13)11-6-8-12(9-7-11)21(3,19)20/h4-10H,1-3H3
InChIKeyPJOMMZPORWXJKV-UHFFFAOYSA-N
XLogP1.85
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methylsulfonylphenyl)pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-2-(4-methylsulfonylphenyl)pyridine-3-carboxamide (CID 74236581) is N,N-dimethyl-2-(4-methylsulfonylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-(4-methylsulfonylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-2-(4-methylsulfonylphenyl)pyridine-3-carboxamide is CN(C)C(=O)c1cccnc1-c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N,N-dimethyl-2-(4-methylsulfonylphenyl)pyridine-3-carboxamide?
The InChIKey is PJOMMZPORWXJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-17(2)15(18)13-5-4-10-16-14(13)11-6-8-12(9-7-11)21(3,19)20/h4-10H,1-3H3.
What are the key properties of N,N-dimethyl-2-(4-methylsulfonylphenyl)pyridine-3-carboxamide?
N,N-dimethyl-2-(4-methylsulfonylphenyl)pyridine-3-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methylsulfonylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 74236581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).