3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide

C9H13N3O3S — CID 104741450

IUPAC3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1ncccc1N
InChIInChI=1S/C9H13N3O3S/c1-16(14,15)6-5-12-9(13)8-7(10)3-2-4-11-8/h2-4H,5-6,10H2,1H3,(H,12,13)
InChIKeyFRWKQJFZJZWRGW-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.56
Rot. Bonds4

About 3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide

3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide (PubChem CID 104741450) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
PubChem CID104741450
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1ncccc1N
InChIInChI=1S/C9H13N3O3S/c1-16(14,15)6-5-12-9(13)8-7(10)3-2-4-11-8/h2-4H,5-6,10H2,1H3,(H,12,13)
InChIKeyFRWKQJFZJZWRGW-UHFFFAOYSA-N
XLogP-0.56
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 104741064
3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
CID 104741062
3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
3-amino-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 104740794
3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 104742127
1-(3-amino-2-pyridinyl)-4-methylsulfonylbutan-1-one
CID 116613725
3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 107521470
3-amino-N-(2-pyrrol-1-ylethyl)pyridine-2-carboxamide
CID 114182681
2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 47230711
3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide
CID 114617075
3-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 104742250

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide (CID 104741450) is 3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide is CS(=O)(=O)CCNC(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide?
The InChIKey is FRWKQJFZJZWRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-16(14,15)6-5-12-9(13)8-7(10)3-2-4-11-8/h2-4H,5-6,10H2,1H3,(H,12,13).
What are the key properties of 3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide?
3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide has a molecular weight of 243.29 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 104741450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).