N-[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide

C18H20BrN3O3S — CID 86964115

IUPACN-[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)N1CCC(NS(C)(=O)=O)C1
InChIInChI=1S/C18H20BrN3O3S/c1-12-16(6-7-17(20-12)13-4-3-5-14(19)10-13)18(23)22-9-8-15(11-22)21-26(2,24)25/h3-7,10,15,21H,8-9,11H2,1-2H3
InChIKeyIDKRUJMJDLOGFN-UHFFFAOYSA-N
MW438.35 g/mol
LogP2.58
Rot. Bonds4

About N-[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide

N-[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 86964115) has the molecular formula C18H20BrN3O3S and a molecular weight of 438.35 g/mol. Its IUPAC name is N-[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID86964115
Molecular FormulaC18H20BrN3O3S
Molecular Weight438.35 g/mol
Exact Mass437.04
IUPAC NameN-[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)N1CCC(NS(C)(=O)=O)C1
InChIInChI=1S/C18H20BrN3O3S/c1-12-16(6-7-17(20-12)13-4-3-5-14(19)10-13)18(23)22-9-8-15(11-22)21-26(2,24)25/h3-7,10,15,21H,8-9,11H2,1-2H3
InChIKeyIDKRUJMJDLOGFN-UHFFFAOYSA-N
XLogP2.58
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(3-bromophenyl)-2-methyl-3-pyridinyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 55584860
[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 46434956
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
[3-(methylamino)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119490331
[6-(3-bromophenyl)-2-methyl-3-pyridinyl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 55860227
(4-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883923
6-(3-bromophenyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide
CID 86847145
N-[1-(2-bromo-3-methylbenzoyl)piperidin-4-yl]methanesulfonamide
CID 103853007
2-[4-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 33300685
(2,6-dimethyl-3-pyridinyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81466183
6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide
CID 30796992
(3-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883825

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide (CID 86964115) is N-[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide is Cc1nc(-c2cccc(Br)c2)ccc1C(=O)N1CCC(NS(C)(=O)=O)C1.
What is the InChIKey of N-[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is IDKRUJMJDLOGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O3S/c1-12-16(6-7-17(20-12)13-4-3-5-14(19)10-13)18(23)22-9-8-15(11-22)21-26(2,24)25/h3-7,10,15,21H,8-9,11H2,1-2H3.
What are the key properties of N-[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide?
N-[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 438.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 86964115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).