2-[1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]ethanol

C12H19N3O — CID 114799922

IUPAC2-[1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]ethanol
SMILESNc1ccnc(CN2CCC(CCO)C2)c1
InChIInChI=1S/C12H19N3O/c13-11-1-4-14-12(7-11)9-15-5-2-10(8-15)3-6-16/h1,4,7,10,16H,2-3,5-6,8-9H2,(H2,13,14)
InChIKeyJVHCLJKQCKWASH-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.87
Rot. Bonds4

About 2-[1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]ethanol

2-[1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]ethanol (PubChem CID 114799922) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]ethanol
PubChem CID114799922
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]ethanol
SMILESNc1ccnc(CN2CCC(CCO)C2)c1
InChIInChI=1S/C12H19N3O/c13-11-1-4-14-12(7-11)9-15-5-2-10(8-15)3-6-16/h1,4,7,10,16H,2-3,5-6,8-9H2,(H2,13,14)
InChIKeyJVHCLJKQCKWASH-UHFFFAOYSA-N
XLogP0.87
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]ethanol 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 2-[1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]ethanol (CID 114799922) is 2-[1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]ethanol is Nc1ccnc(CN2CCC(CCO)C2)c1.
What is the InChIKey of 2-[1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is JVHCLJKQCKWASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-11-1-4-14-12(7-11)9-15-5-2-10(8-15)3-6-16/h1,4,7,10,16H,2-3,5-6,8-9H2,(H2,13,14).
What are the key properties of 2-[1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]ethanol?
2-[1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 221.30 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114799922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).