6-(3-bromophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide

C17H18BrN3OS — CID 119551708

IUPAC6-(3-bromophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
SMILESCN(C(=O)c1cccc(Sc2cccc(Br)c2)n1)C1CCNC1
InChIInChI=1S/C17H18BrN3OS/c1-21(13-8-9-19-11-13)17(22)15-6-3-7-16(20-15)23-14-5-2-4-12(18)10-14/h2-7,10,13,19H,8-9,11H2,1H3
InChIKeyRTBRUNQUMVATNY-UHFFFAOYSA-N
MW392.32 g/mol
LogP3.43
Rot. Bonds4

About 6-(3-bromophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide

6-(3-bromophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide (PubChem CID 119551708) has the molecular formula C17H18BrN3OS and a molecular weight of 392.32 g/mol. Its IUPAC name is 6-(3-bromophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
PubChem CID119551708
Molecular FormulaC17H18BrN3OS
Molecular Weight392.32 g/mol
Exact Mass391.04
IUPAC Name6-(3-bromophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
SMILESCN(C(=O)c1cccc(Sc2cccc(Br)c2)n1)C1CCNC1
InChIInChI=1S/C17H18BrN3OS/c1-21(13-8-9-19-11-13)17(22)15-6-3-7-16(20-15)23-14-5-2-4-12(18)10-14/h2-7,10,13,19H,8-9,11H2,1H3
InChIKeyRTBRUNQUMVATNY-UHFFFAOYSA-N
XLogP3.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide
CID 119554751
N-(1-aminopropan-2-yl)-6-(3-bromophenyl)sulfanyl-N-methylpyridine-2-carboxamide
CID 119582726
2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 114018493
1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 119551309
2-(5-bromo-2-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552111
4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552447
2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 107983110
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
N-methyl-2-propan-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119552868
N-methyl-N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119553730
2-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119550263
2-(4-bromo-2-methylphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119551142

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide?
The IUPAC name of 6-(3-bromophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide (CID 119551708) is 6-(3-bromophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-(3-bromophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide?
The canonical SMILES for 6-(3-bromophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide is CN(C(=O)c1cccc(Sc2cccc(Br)c2)n1)C1CCNC1.
What is the InChIKey of 6-(3-bromophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide?
The InChIKey is RTBRUNQUMVATNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3OS/c1-21(13-8-9-19-11-13)17(22)15-6-3-7-16(20-15)23-14-5-2-4-12(18)10-14/h2-7,10,13,19H,8-9,11H2,1H3.
What are the key properties of 6-(3-bromophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide?
6-(3-bromophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide has a molecular weight of 392.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 119551708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).