N-benzyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride

C17H22ClN3O — CID 52943964

IUPACN-benzyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride
SMILESCl.c1ccc(CNc2cncc(OC[C@@H]3CCCN3)c2)cc1
InChIInChI=1S/C17H21N3O.ClH/c1-2-5-14(6-3-1)10-20-16-9-17(12-18-11-16)21-13-15-7-4-8-19-15;/h1-3,5-6,9,11-12,15,19-20H,4,7-8,10,13H2;1H/t15-;/m0./s1
InChIKeyHRMMNGRWSQRPNZ-RSAXXLAASA-N
MW319.84 g/mol
LogP3.25
Rot. Bonds6

About N-benzyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride

N-benzyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride (PubChem CID 52943964) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is N-benzyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride
PubChem CID52943964
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC NameN-benzyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride
SMILESCl.c1ccc(CNc2cncc(OC[C@@H]3CCCN3)c2)cc1
InChIInChI=1S/C17H21N3O.ClH/c1-2-5-14(6-3-1)10-20-16-9-17(12-18-11-16)21-13-15-7-4-8-19-15;/h1-3,5-6,9,11-12,15,19-20H,4,7-8,10,13H2;1H/t15-;/m0./s1
InChIKeyHRMMNGRWSQRPNZ-RSAXXLAASA-N
XLogP3.25
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride 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 N-benzyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride?
The IUPAC name of N-benzyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride (CID 52943964) is N-benzyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride.
What is the SMILES notation for N-benzyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride?
The canonical SMILES for N-benzyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride is Cl.c1ccc(CNc2cncc(OC[C@@H]3CCCN3)c2)cc1.
What is the InChIKey of N-benzyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride?
The InChIKey is HRMMNGRWSQRPNZ-RSAXXLAASA-N. The full InChI is InChI=1S/C17H21N3O.ClH/c1-2-5-14(6-3-1)10-20-16-9-17(12-18-11-16)21-13-15-7-4-8-19-15;/h1-3,5-6,9,11-12,15,19-20H,4,7-8,10,13H2;1H/t15-;/m0./s1.
What are the key properties of N-benzyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride?
N-benzyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride has a molecular weight of 319.84 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride is sourced from PubChem (CID 52943964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).