1-[[(3-bromo-5-methyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol

C12H17BrN2O — CID 105366996

IUPAC1-[[(3-bromo-5-methyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol
SMILESCc1cnc(NCC2(O)CCCC2)c(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-9-6-10(13)11(14-7-9)15-8-12(16)4-2-3-5-12/h6-7,16H,2-5,8H2,1H3,(H,14,15)
InChIKeyJVWYQRCHBXYRJC-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.87
Rot. Bonds3

About 1-[[(3-bromo-5-methyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol

1-[[(3-bromo-5-methyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol (PubChem CID 105366996) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 1-[[(3-bromo-5-methyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(3-bromo-5-methyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol
PubChem CID105366996
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name1-[[(3-bromo-5-methyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol
SMILESCc1cnc(NCC2(O)CCCC2)c(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-9-6-10(13)11(14-7-9)15-8-12(16)4-2-3-5-12/h6-7,16H,2-5,8H2,1H3,(H,14,15)
InChIKeyJVWYQRCHBXYRJC-UHFFFAOYSA-N
XLogP2.87
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(3-bromo-5-methyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-bromo-5-methyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(3-bromo-5-methyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol (CID 105366996) is 1-[[(3-bromo-5-methyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(3-bromo-5-methyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(3-bromo-5-methyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol is Cc1cnc(NCC2(O)CCCC2)c(Br)c1.
What is the InChIKey of 1-[[(3-bromo-5-methyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is JVWYQRCHBXYRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9-6-10(13)11(14-7-9)15-8-12(16)4-2-3-5-12/h6-7,16H,2-5,8H2,1H3,(H,14,15).
What are the key properties of 1-[[(3-bromo-5-methyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol?
1-[[(3-bromo-5-methyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 285.18 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-bromo-5-methyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 105366996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).