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

C12H16BrN3O3S — CID 62186912

IUPAC5-bromo-N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H16BrN3O3S/c1-2-14-11-10(5-8(13)6-15-11)12(17)16-9-3-4-20(18,19)7-9/h5-6,9H,2-4,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyBZHHRPYRBDWNLS-UHFFFAOYSA-N
MW362.25 g/mol
LogP1.19
Rot. Bonds4

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

5-bromo-N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)pyridine-3-carboxamide (PubChem CID 62186912) has the molecular formula C12H16BrN3O3S and a molecular weight of 362.25 g/mol. Its IUPAC name is 5-bromo-N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)pyridine-3-carboxamide
PubChem CID62186912
Molecular FormulaC12H16BrN3O3S
Molecular Weight362.25 g/mol
Exact Mass361.01
IUPAC Name5-bromo-N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H16BrN3O3S/c1-2-14-11-10(5-8(13)6-15-11)12(17)16-9-3-4-20(18,19)7-9/h5-6,9H,2-4,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyBZHHRPYRBDWNLS-UHFFFAOYSA-N
XLogP1.19
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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

Analyze 5-bromo-N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(1,1-dioxothian-4-yl)-2-hydrazinylpyridine-3-carboxamide
CID 62237432
5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide
CID 62414263
5-bromo-2-(ethylamino)-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 63662359
5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide
CID 63501657
5-bromo-N-(1-methylpiperidin-4-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62169500
N-(1,1-dioxothian-4-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62169938
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-(ethylamino)pyridine-3-carboxamide
CID 83169522
5-bromo-N-(1,1-dioxothian-3-yl)-2-methylbenzamide
CID 65309683
5-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 62235486
methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate
CID 130830671
5-amino-N-(1,1-dioxothiolan-3-yl)-2-methylpyridine-3-carboxamide
CID 54917004
2,5-dibromo-N-(1,1-dioxothian-3-yl)benzamide
CID 114372378

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)pyridine-3-carboxamide (CID 62186912) is 5-bromo-N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)pyridine-3-carboxamide is CCNc1ncc(Br)cc1C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 5-bromo-N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)pyridine-3-carboxamide?
The InChIKey is BZHHRPYRBDWNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O3S/c1-2-14-11-10(5-8(13)6-15-11)12(17)16-9-3-4-20(18,19)7-9/h5-6,9H,2-4,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-bromo-N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)pyridine-3-carboxamide?
5-bromo-N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)pyridine-3-carboxamide has a molecular weight of 362.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62186912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).