5-bromo-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide

C11H13BrN2OS — CID 62954377

IUPAC5-bromo-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)cn1)C1CCSC1
InChIInChI=1S/C11H13BrN2OS/c1-14(9-4-5-16-7-9)11(15)10-3-2-8(12)6-13-10/h2-3,6,9H,4-5,7H2,1H3
InChIKeyHRXGEWSLRYYXMF-UHFFFAOYSA-N
MW301.21 g/mol
LogP2.42
Rot. Bonds2

About 5-bromo-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide

5-bromo-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide (PubChem CID 62954377) has the molecular formula C11H13BrN2OS and a molecular weight of 301.21 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide
PubChem CID62954377
Molecular FormulaC11H13BrN2OS
Molecular Weight301.21 g/mol
Exact Mass299.99
IUPAC Name5-bromo-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)cn1)C1CCSC1
InChIInChI=1S/C11H13BrN2OS/c1-14(9-4-5-16-7-9)11(15)10-3-2-8(12)6-13-10/h2-3,6,9H,4-5,7H2,1H3
InChIKeyHRXGEWSLRYYXMF-UHFFFAOYSA-N
XLogP2.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide
CID 79121873
5-(3-aminoprop-1-ynyl)-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 62960675
6-amino-N-methyl-N-(thiolan-3-yl)pyridazine-3-carboxamide
CID 62154089
3-bromo-N,4-dimethyl-N-(thiolan-3-yl)benzamide
CID 81471867
5-bromo-N-cyclopropyl-N-ethylpyridine-2-carboxamide
CID 62953692
5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide
CID 82738552
2,3-difluoro-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide
CID 105380355
3,6-dimethyl-2-[methyl(thiolan-3-yl)carbamoyl]benzoic acid
CID 103428743
2-[methyl(thiolan-3-yl)carbamoyl]benzoic acid
CID 43296386
2-chloro-N-methyl-N-(thiolan-3-yl)furan-3-carboxamide
CID 106685400
2-(aminomethyl)-N-methyl-N-(thiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 66376837
1-(2-aminophenyl)-N-methyl-N-(thiolan-3-yl)pyrazole-3-carboxamide
CID 43475571

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide (CID 62954377) is 5-bromo-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide is CN(C(=O)c1ccc(Br)cn1)C1CCSC1.
What is the InChIKey of 5-bromo-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide?
The InChIKey is HRXGEWSLRYYXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2OS/c1-14(9-4-5-16-7-9)11(15)10-3-2-8(12)6-13-10/h2-3,6,9H,4-5,7H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide?
5-bromo-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide has a molecular weight of 301.21 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 62954377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).