N-methoxy-N-methyl-5-methylsulfonylpyridine-2-carboxamide

C9H12N2O4S — CID 141406084

IUPACN-methoxy-N-methyl-5-methylsulfonylpyridine-2-carboxamide
SMILESCON(C)C(=O)c1ccc(S(C)(=O)=O)cn1
InChIInChI=1S/C9H12N2O4S/c1-11(15-2)9(12)8-5-4-7(6-10-8)16(3,13)14/h4-6H,1-3H3
InChIKeyPIOPNALSCRAUEX-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.12
Rot. Bonds3

About N-methoxy-N-methyl-5-methylsulfonylpyridine-2-carboxamide

N-methoxy-N-methyl-5-methylsulfonylpyridine-2-carboxamide (PubChem CID 141406084) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is N-methoxy-N-methyl-5-methylsulfonylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-5-methylsulfonylpyridine-2-carboxamide
PubChem CID141406084
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC NameN-methoxy-N-methyl-5-methylsulfonylpyridine-2-carboxamide
SMILESCON(C)C(=O)c1ccc(S(C)(=O)=O)cn1
InChIInChI=1S/C9H12N2O4S/c1-11(15-2)9(12)8-5-4-7(6-10-8)16(3,13)14/h4-6H,1-3H3
InChIKeyPIOPNALSCRAUEX-UHFFFAOYSA-N
XLogP0.12
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-5-methylsulfonylpyridine-2-carboxamide?
The IUPAC name of N-methoxy-N-methyl-5-methylsulfonylpyridine-2-carboxamide (CID 141406084) is N-methoxy-N-methyl-5-methylsulfonylpyridine-2-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-5-methylsulfonylpyridine-2-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-5-methylsulfonylpyridine-2-carboxamide is CON(C)C(=O)c1ccc(S(C)(=O)=O)cn1.
What is the InChIKey of N-methoxy-N-methyl-5-methylsulfonylpyridine-2-carboxamide?
The InChIKey is PIOPNALSCRAUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-11(15-2)9(12)8-5-4-7(6-10-8)16(3,13)14/h4-6H,1-3H3.
What are the key properties of N-methoxy-N-methyl-5-methylsulfonylpyridine-2-carboxamide?
N-methoxy-N-methyl-5-methylsulfonylpyridine-2-carboxamide has a molecular weight of 244.27 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-5-methylsulfonylpyridine-2-carboxamide is sourced from PubChem (CID 141406084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).