2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid

C9H13N3O4S — CID 43420764

IUPAC2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid
SMILESCS(=O)(=O)NCCNc1ncccc1C(=O)O
InChIInChI=1S/C9H13N3O4S/c1-17(15,16)12-6-5-11-8-7(9(13)14)3-2-4-10-8/h2-4,12H,5-6H2,1H3,(H,10,11)(H,13,14)
InChIKeyPMIKFISIIZISRF-UHFFFAOYSA-N
MW259.29 g/mol
LogP-0.26
Rot. Bonds6

About 2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid

2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid (PubChem CID 43420764) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid
PubChem CID43420764
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid
SMILESCS(=O)(=O)NCCNc1ncccc1C(=O)O
InChIInChI=1S/C9H13N3O4S/c1-17(15,16)12-6-5-11-8-7(9(13)14)3-2-4-10-8/h2-4,12H,5-6H2,1H3,(H,10,11)(H,13,14)
InChIKeyPMIKFISIIZISRF-UHFFFAOYSA-N
XLogP-0.26
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
CID 107061881
N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 62168878
N-[2-[(3-amino-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 43545947
N-[2-[(3-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 61373352
2-(hexylamino)pyridine-3-carboxylic acid
CID 14222051
2-(2-oxopropylamino)pyridine-3-carboxylic acid
CID 89326661
2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 60654935
2-(3-butoxypropylamino)pyridine-3-carboxylic acid
CID 82341813
2-(2-cyclopentylethylamino)pyridine-3-carboxylic acid
CID 60731921
2-(3-benzo[b][1]benzazepin-11-ylpropylamino)pyridine-3-carboxylic acid
CID 110169092
2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 79351085
2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid
CID 106900004

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid (CID 43420764) is 2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid is CS(=O)(=O)NCCNc1ncccc1C(=O)O.
What is the InChIKey of 2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is PMIKFISIIZISRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c1-17(15,16)12-6-5-11-8-7(9(13)14)3-2-4-10-8/h2-4,12H,5-6H2,1H3,(H,10,11)(H,13,14).
What are the key properties of 2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid?
2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 259.29 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 43420764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).