[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine

C14H21BrN4O — CID 63170938

IUPAC[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
SMILESNCc1cc(Br)cnc1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H21BrN4O/c15-12-7-11(8-16)14(17-9-12)19-2-1-13(10-19)18-3-5-20-6-4-18/h7,9,13H,1-6,8,10,16H2
InChIKeyRSTWGYBBKXYUOA-UHFFFAOYSA-N
MW341.25 g/mol
LogP1.21
Rot. Bonds3

About [5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine

[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine (PubChem CID 63170938) has the molecular formula C14H21BrN4O and a molecular weight of 341.25 g/mol. Its IUPAC name is [5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
PubChem CID63170938
Molecular FormulaC14H21BrN4O
Molecular Weight341.25 g/mol
Exact Mass340.09
IUPAC Name[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
SMILESNCc1cc(Br)cnc1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H21BrN4O/c15-12-7-11(8-16)14(17-9-12)19-2-1-13(10-19)18-3-5-20-6-4-18/h7,9,13H,1-6,8,10,16H2
InChIKeyRSTWGYBBKXYUOA-UHFFFAOYSA-N
XLogP1.21
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-Bromopyridin-2-yl)morpholine
CID 10966724
5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-methylpyridin-2-amine
CID 75379535
1-(5-Bromo-2-pyridyl)-3-(2-morpholinoethyl)thiourea
CID 3001930
(2-(Morpholin-4-yl)pyridin-3-yl)methanamine
CID 16790303
5-Bromo-(2-morpholinoethylamino)pyridine
CID 23438259
1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine
CID 118263671
1-(3-Bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol
CID 118263675
1-(5-Bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol
CID 118263690
(3R,4R)-1-(5-bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol
CID 118263707
1-[5-bromo-3-[(E)-methoxyiminomethyl]-2-pyridinyl]-N-cyclohexylpiperidin-4-amine
CID 137529693
4-(3,5-Dibromopyridin-2-yl)morpholine
CID 66545210
(6-(Morpholin-4-yl)pyridin-3-yl)methanamine
CID 16227380

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of [5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine (CID 63170938) is [5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine is NCc1cc(Br)cnc1N1CCC(N2CCOCC2)C1.
What is the InChIKey of [5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine?
The InChIKey is RSTWGYBBKXYUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O/c15-12-7-11(8-16)14(17-9-12)19-2-1-13(10-19)18-3-5-20-6-4-18/h7,9,13H,1-6,8,10,16H2.
What are the key properties of [5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine?
[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine has a molecular weight of 341.25 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 63170938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).