3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide

C9H14N4O3S — CID 104741062

IUPAC3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1ncccc1N
InChIInChI=1S/C9H14N4O3S/c1-17(15,16)13-6-5-12-9(14)8-7(10)3-2-4-11-8/h2-4,13H,5-6,10H2,1H3,(H,12,14)
InChIKeyLDUQBEQVWOPQPI-UHFFFAOYSA-N
MW258.30 g/mol
LogP-1.06
Rot. Bonds5

About 3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide

3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide (PubChem CID 104741062) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
PubChem CID104741062
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC Name3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1ncccc1N
InChIInChI=1S/C9H14N4O3S/c1-17(15,16)13-6-5-12-9(14)8-7(10)3-2-4-11-8/h2-4,13H,5-6,10H2,1H3,(H,12,14)
InChIKeyLDUQBEQVWOPQPI-UHFFFAOYSA-N
XLogP-1.06
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-1.06
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-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 104741450
3-amino-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 104741064
3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
N-[2-[(3-amino-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 43545947
3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide
CID 114617075
3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 104742127
3-amino-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 104740794
3-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 104742250
3-amino-N-(2,2-dichloroethyl)pyridine-2-carboxamide
CID 130551892
3-amino-N-(2-pyrrol-1-ylethyl)pyridine-2-carboxamide
CID 114182681
N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 62168878

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide (CID 104741062) is 3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide is CS(=O)(=O)NCCNC(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide?
The InChIKey is LDUQBEQVWOPQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c1-17(15,16)13-6-5-12-9(14)8-7(10)3-2-4-11-8/h2-4,13H,5-6,10H2,1H3,(H,12,14).
What are the key properties of 3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide?
3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide has a molecular weight of 258.30 g/mol, XLogP of -1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 104741062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).