4-formyl-N-methylsulfonylpyridine-2-carboxamide

C8H8N2O4S — CID 87796394

IUPAC4-formyl-N-methylsulfonylpyridine-2-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cc(C=O)ccn1
InChIInChI=1S/C8H8N2O4S/c1-15(13,14)10-8(12)7-4-6(5-11)2-3-9-7/h2-5H,1H3,(H,10,12)
InChIKeyRXFMZOKAIDNAGG-UHFFFAOYSA-N
MW228.23 g/mol
LogP-0.42
Rot. Bonds3

About 4-formyl-N-methylsulfonylpyridine-2-carboxamide

4-formyl-N-methylsulfonylpyridine-2-carboxamide (PubChem CID 87796394) has the molecular formula C8H8N2O4S and a molecular weight of 228.23 g/mol. Its IUPAC name is 4-formyl-N-methylsulfonylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-formyl-N-methylsulfonylpyridine-2-carboxamide
PubChem CID87796394
Molecular FormulaC8H8N2O4S
Molecular Weight228.23 g/mol
Exact Mass228.02
IUPAC Name4-formyl-N-methylsulfonylpyridine-2-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cc(C=O)ccn1
InChIInChI=1S/C8H8N2O4S/c1-15(13,14)10-8(12)7-4-6(5-11)2-3-9-7/h2-5H,1H3,(H,10,12)
InChIKeyRXFMZOKAIDNAGG-UHFFFAOYSA-N
XLogP-0.42
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-methylsulfonylpyridine-2-carboxamide
CID 14952705
4-formylpyridine-2-carboxylic acid;hydrochloride
CID 146082186
2-[(E)-2-amino-1-chloroethenyl]pyridine-4-carbaldehyde
CID 169168639
N-[4-(methylsulfonylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 146154862
2-(2-methoxyethoxy)pyridine-4-carbaldehyde
CID 145045484
N-methylsulfonylpyridazine-4-carboxamide
CID 130725112
2-(hydroxymethyl)pyridine-4-carbaldehyde
CID 57336677
4-bromo-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;4-formyl-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]pyridine-2-carboxamide
CID 159811499
2-[2-(2-methyl-3-phenylphenyl)acetyl]pyridine-4-carbaldehyde
CID 162109496
4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide
CID 9455833
3-(2-methoxycarbonyl-4-pyridinyl)prop-2-enoic acid
CID 169460728
N-[2-(methanesulfonamido)ethyl]-4-(propylamino)pyridine-2-carboxamide
CID 62168705

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-methylsulfonylpyridine-2-carboxamide?
The IUPAC name of 4-formyl-N-methylsulfonylpyridine-2-carboxamide (CID 87796394) is 4-formyl-N-methylsulfonylpyridine-2-carboxamide.
What is the SMILES notation for 4-formyl-N-methylsulfonylpyridine-2-carboxamide?
The canonical SMILES for 4-formyl-N-methylsulfonylpyridine-2-carboxamide is CS(=O)(=O)NC(=O)c1cc(C=O)ccn1.
What is the InChIKey of 4-formyl-N-methylsulfonylpyridine-2-carboxamide?
The InChIKey is RXFMZOKAIDNAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4S/c1-15(13,14)10-8(12)7-4-6(5-11)2-3-9-7/h2-5H,1H3,(H,10,12).
What are the key properties of 4-formyl-N-methylsulfonylpyridine-2-carboxamide?
4-formyl-N-methylsulfonylpyridine-2-carboxamide has a molecular weight of 228.23 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-methylsulfonylpyridine-2-carboxamide is sourced from PubChem (CID 87796394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).