5-bromo-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine

C17H20BrN3O — CID 133404265

IUPAC5-bromo-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine
SMILESCOc1ccccc1N1CCC(Nc2cc(C)c(Br)cn2)C1
InChIInChI=1S/C17H20BrN3O/c1-12-9-17(19-10-14(12)18)20-13-7-8-21(11-13)15-5-3-4-6-16(15)22-2/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,19,20)
InChIKeyUCJMTFKZJRFRLP-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.85
Rot. Bonds4

About 5-bromo-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine

5-bromo-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine (PubChem CID 133404265) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is 5-bromo-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine
PubChem CID133404265
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name5-bromo-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine
SMILESCOc1ccccc1N1CCC(Nc2cc(C)c(Br)cn2)C1
InChIInChI=1S/C17H20BrN3O/c1-12-9-17(19-10-14(12)18)20-13-7-8-21(11-13)15-5-3-4-6-16(15)22-2/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,19,20)
InChIKeyUCJMTFKZJRFRLP-UHFFFAOYSA-N
XLogP3.85
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine
CID 133404187
N-[1-(2-methoxyphenyl)piperidin-3-yl]-6-methylpyridin-2-amine
CID 133483342
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 133419757
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133472386
N-[(3R)-1-(2-methoxyphenyl)piperidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine
CID 95629465
3-tert-butyl-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine
CID 133494500
4-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,4-diamine
CID 114869071
N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide
CID 86965644
2,2,2-trifluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 136514261
2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-sulfonamide
CID 126776510
2-bromo-4-fluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzenesulfonamide
CID 86966763
[6-(cyclopropylamino)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109339086

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine (CID 133404265) is 5-bromo-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine is COc1ccccc1N1CCC(Nc2cc(C)c(Br)cn2)C1.
What is the InChIKey of 5-bromo-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine?
The InChIKey is UCJMTFKZJRFRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-12-9-17(19-10-14(12)18)20-13-7-8-21(11-13)15-5-3-4-6-16(15)22-2/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,19,20).
What are the key properties of 5-bromo-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine?
5-bromo-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine has a molecular weight of 362.27 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine is sourced from PubChem (CID 133404265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).