6-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide

C11H15N3O3S — CID 62240532

IUPAC6-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
SMILESCC1(NC(=O)c2cccc(N)n2)CCS(=O)(=O)C1
InChIInChI=1S/C11H15N3O3S/c1-11(5-6-18(16,17)7-11)14-10(15)8-3-2-4-9(12)13-8/h2-4H,5-7H2,1H3,(H2,12,13)(H,14,15)
InChIKeyZOHXHBJHIDAFIS-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.03
Rot. Bonds2

About 6-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide

6-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide (PubChem CID 62240532) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 6-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
PubChem CID62240532
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name6-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
SMILESCC1(NC(=O)c2cccc(N)n2)CCS(=O)(=O)C1
InChIInChI=1S/C11H15N3O3S/c1-11(5-6-18(16,17)7-11)14-10(15)8-3-2-4-9(12)13-8/h2-4H,5-7H2,1H3,(H2,12,13)(H,14,15)
InChIKeyZOHXHBJHIDAFIS-UHFFFAOYSA-N
XLogP-0.03
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-(1-methylcyclohexyl)pyridine-2-carboxamide
CID 62240010
5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide
CID 43020385
1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
3-N-(3-methyl-1,1-dioxothiolan-3-yl)benzene-1,3-dicarboxamide
CID 43057320
3-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60718307
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716553
N-(3-methyl-1,1-dioxothiolan-3-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 42915483
5-(aminomethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
CID 63722542
N-(3-methyl-1,1-dioxothiolan-3-yl)-2H-triazole-4-carboxamide
CID 112733233
2-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716580
5-carbamothioyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
CID 63748853
2,6-dibromo-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-4-carboxamide
CID 140870093

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide (CID 62240532) is 6-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide is CC1(NC(=O)c2cccc(N)n2)CCS(=O)(=O)C1.
What is the InChIKey of 6-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide?
The InChIKey is ZOHXHBJHIDAFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-11(5-6-18(16,17)7-11)14-10(15)8-3-2-4-9(12)13-8/h2-4H,5-7H2,1H3,(H2,12,13)(H,14,15).
What are the key properties of 6-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide?
6-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide has a molecular weight of 269.33 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 62240532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).