5-bromo-N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]pyridin-3-amine

C13H20BrN3O — CID 97318476

IUPAC5-bromo-N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]pyridin-3-amine
SMILESC[C@@H](Nc1cncc(Br)c1)[C@H](C)N1CCOCC1
InChIInChI=1S/C13H20BrN3O/c1-10(11(2)17-3-5-18-6-4-17)16-13-7-12(14)8-15-9-13/h7-11,16H,3-6H2,1-2H3/t10-,11+/m1/s1
InChIKeyVDZYDDNOFAQWIV-MNOVXSKESA-N
MW314.23 g/mol
LogP2.37
Rot. Bonds4

About 5-bromo-N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]pyridin-3-amine

5-bromo-N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]pyridin-3-amine (PubChem CID 97318476) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]pyridin-3-amine
PubChem CID97318476
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name5-bromo-N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]pyridin-3-amine
SMILESC[C@@H](Nc1cncc(Br)c1)[C@H](C)N1CCOCC1
InChIInChI=1S/C13H20BrN3O/c1-10(11(2)17-3-5-18-6-4-17)16-13-7-12(14)8-15-9-13/h7-11,16H,3-6H2,1-2H3/t10-,11+/m1/s1
InChIKeyVDZYDDNOFAQWIV-MNOVXSKESA-N
XLogP2.37
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-3-amine
CID 115657159
5-bromo-N-[1-(oxolan-3-yl)ethyl]pyridin-3-amine
CID 115922851
5-bromo-N-pentan-3-ylpyridin-3-amine
CID 115620552
3,6-dimethyl-N-(3-morpholin-4-ylbutan-2-yl)pyrazin-2-amine
CID 133470292
3-[(5-bromo-3-pyridinyl)amino]-2-methylbutan-2-ol
CID 130486029
5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
CID 115657686
5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridin-3-amine
CID 130161188
5-bromo-N-[1-(oxolan-3-yloxy)propan-2-yl]pyridin-3-amine
CID 133348324
5-bromo-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 55521520
2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide
CID 113350201
5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-3-amine
CID 106544957
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine
CID 112690448

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]pyridin-3-amine (CID 97318476) is 5-bromo-N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]pyridin-3-amine is C[C@@H](Nc1cncc(Br)c1)[C@H](C)N1CCOCC1.
What is the InChIKey of 5-bromo-N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]pyridin-3-amine?
The InChIKey is VDZYDDNOFAQWIV-MNOVXSKESA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-10(11(2)17-3-5-18-6-4-17)16-13-7-12(14)8-15-9-13/h7-11,16H,3-6H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of 5-bromo-N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]pyridin-3-amine?
5-bromo-N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]pyridin-3-amine has a molecular weight of 314.23 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]pyridin-3-amine is sourced from PubChem (CID 97318476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).