3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol

C17H21N3O — CID 140995584

IUPAC3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol
SMILESOc1cccc(C2CCN(CCNc3ccccn3)C2)c1
InChIInChI=1S/C17H21N3O/c21-16-5-3-4-14(12-16)15-7-10-20(13-15)11-9-19-17-6-1-2-8-18-17/h1-6,8,12,15,21H,7,9-11,13H2,(H,18,19)
InChIKeyQZGFVROBSBEYQN-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.69
Rot. Bonds5

About 3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol

3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol (PubChem CID 140995584) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol.

Molecular Properties

Compound Name3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol
PubChem CID140995584
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol
SMILESOc1cccc(C2CCN(CCNc3ccccn3)C2)c1
InChIInChI=1S/C17H21N3O/c21-16-5-3-4-14(12-16)15-7-10-20(13-15)11-9-19-17-6-1-2-8-18-17/h1-6,8,12,15,21H,7,9-11,13H2,(H,18,19)
InChIKeyQZGFVROBSBEYQN-UHFFFAOYSA-N
XLogP2.69
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol 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 3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol?
The IUPAC name of 3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol (CID 140995584) is 3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol.
What is the SMILES notation for 3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol?
The canonical SMILES for 3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol is Oc1cccc(C2CCN(CCNc3ccccn3)C2)c1.
What is the InChIKey of 3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol?
The InChIKey is QZGFVROBSBEYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-16-5-3-4-14(12-16)15-7-10-20(13-15)11-9-19-17-6-1-2-8-18-17/h1-6,8,12,15,21H,7,9-11,13H2,(H,18,19).
What are the key properties of 3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol?
3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol has a molecular weight of 283.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol is sourced from PubChem (CID 140995584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).