trans-(1S,2S)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol

C13H14BrN3O — CID 99777938

IUPACtrans-(1S,2S)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1ccnc2cc(Br)cnc12
InChIInChI=1S/C13H14BrN3O/c14-8-6-11-13(16-7-8)10(4-5-15-11)17-9-2-1-3-12(9)18/h4-7,9,12,18H,1-3H2,(H,15,17)/t9-,12-/m0/s1
InChIKeyLFFMEEODXNQWKQ-CABZTGNLSA-N
MW308.18 g/mol
LogP2.72
Rot. Bonds2

About trans-(1S,2S)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol

trans-(1S,2S)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol (PubChem CID 99777938) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol
PubChem CID99777938
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Nametrans-(1S,2S)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1ccnc2cc(Br)cnc12
InChIInChI=1S/C13H14BrN3O/c14-8-6-11-13(16-7-8)10(4-5-15-11)17-9-2-1-3-12(9)18/h4-7,9,12,18H,1-3H2,(H,15,17)/t9-,12-/m0/s1
InChIKeyLFFMEEODXNQWKQ-CABZTGNLSA-N
XLogP2.72
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol
CID 91648836
7-bromo-N-[2-(chloromethyl)cyclopentyl]-1,5-naphthyridin-4-amine
CID 106365510
trans-(1R,2R)-2-N-(7-bromo-1,5-naphthyridin-4-yl)cyclohexane-1,2-diamine
CID 102738731
7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-amine
CID 106365685
7-bromo-N-(2-pyrazol-1-ylcyclohexyl)-1,5-naphthyridin-4-amine
CID 133483777
7-bromo-N-[(2-methylcyclopentyl)methyl]-1,5-naphthyridin-4-amine
CID 107419345
2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-cyclopropylacetamide
CID 113394394
7-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-naphthyridin-4-amine
CID 133482136
4-[(7-bromo-1,5-naphthyridin-4-yl)amino]pyrrolidin-2-one
CID 105023349
7-bromo-N-(pyrrolidin-2-ylmethyl)-1,5-naphthyridin-4-amine
CID 113394440
7-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,5-naphthyridin-4-amine
CID 104891810
trans-(1S,2S)-2-[(6-chloroquinolin-4-yl)amino]cyclohexan-1-ol
CID 133495334

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol (CID 99777938) is trans-(1S,2S)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol is O[C@H]1CCC[C@@H]1Nc1ccnc2cc(Br)cnc12.
What is the InChIKey of trans-(1S,2S)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol?
The InChIKey is LFFMEEODXNQWKQ-CABZTGNLSA-N. The full InChI is InChI=1S/C13H14BrN3O/c14-8-6-11-13(16-7-8)10(4-5-15-11)17-9-2-1-3-12(9)18/h4-7,9,12,18H,1-3H2,(H,15,17)/t9-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol?
trans-(1S,2S)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol has a molecular weight of 308.18 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol is sourced from PubChem (CID 99777938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).