5-bromo-2-(methylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide

C12H16BrN3O3S — CID 62174498

IUPAC5-bromo-2-(methylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C12H16BrN3O3S/c1-12(3-4-20(18,19)7-12)16-11(17)9-5-8(13)6-15-10(9)14-2/h5-6H,3-4,7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyBAOOOPVZTARIHU-UHFFFAOYSA-N
MW362.25 g/mol
LogP1.19
Rot. Bonds3

About 5-bromo-2-(methylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide

5-bromo-2-(methylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide (PubChem CID 62174498) has the molecular formula C12H16BrN3O3S and a molecular weight of 362.25 g/mol. Its IUPAC name is 5-bromo-2-(methylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(methylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
PubChem CID62174498
Molecular FormulaC12H16BrN3O3S
Molecular Weight362.25 g/mol
Exact Mass361.01
IUPAC Name5-bromo-2-(methylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C12H16BrN3O3S/c1-12(3-4-20(18,19)7-12)16-11(17)9-5-8(13)6-15-10(9)14-2/h5-6H,3-4,7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyBAOOOPVZTARIHU-UHFFFAOYSA-N
XLogP1.19
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide
CID 62174416
2,6-dibromo-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-4-carboxamide
CID 140870093
1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
4-bromo-2-methoxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 78987530
5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide
CID 83022924
5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide
CID 43020385
2-bromo-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-3-carboxamide
CID 106853081
5-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 63859452
2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716599
2-amino-5-bromo-N-(1-methylcyclohexyl)pyridine-3-carboxamide
CID 55042048
N-(3-methyl-1,1-dioxothiolan-3-yl)-2H-triazole-4-carboxamide
CID 112733233
5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide
CID 62172702

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(methylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide (CID 62174498) is 5-bromo-2-(methylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(methylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(methylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide is CNc1ncc(Br)cc1C(=O)NC1(C)CCS(=O)(=O)C1.
What is the InChIKey of 5-bromo-2-(methylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The InChIKey is BAOOOPVZTARIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O3S/c1-12(3-4-20(18,19)7-12)16-11(17)9-5-8(13)6-15-10(9)14-2/h5-6H,3-4,7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 5-bromo-2-(methylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
5-bromo-2-(methylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide has a molecular weight of 362.25 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 62174498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).