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

C9H13N3O3S — CID 62240593

IUPAC6-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1cccc(N)n1
InChIInChI=1S/C9H13N3O3S/c1-16(14,15)6-5-11-9(13)7-3-2-4-8(10)12-7/h2-4H,5-6H2,1H3,(H2,10,12)(H,11,13)
InChIKeyVRILXBHJNWEFBZ-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.56
Rot. Bonds4

About 6-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide

6-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide (PubChem CID 62240593) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 6-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
PubChem CID62240593
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name6-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1cccc(N)n1
InChIInChI=1S/C9H13N3O3S/c1-16(14,15)6-5-11-9(13)7-3-2-4-8(10)12-7/h2-4H,5-6H2,1H3,(H2,10,12)(H,11,13)
InChIKeyVRILXBHJNWEFBZ-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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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide (CID 62240593) is 6-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide is CS(=O)(=O)CCNC(=O)c1cccc(N)n1.
What is the InChIKey of 6-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide?
The InChIKey is VRILXBHJNWEFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-16(14,15)6-5-11-9(13)7-3-2-4-8(10)12-7/h2-4H,5-6H2,1H3,(H2,10,12)(H,11,13).
What are the key properties of 6-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide?
6-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 6-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62240593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).