2-[[2-(1-benzylpyrrolidin-2-yl)ethylamino]methyl]pyridine-4-carboxylic acid

C20H25N3O2 — CID 90093151

IUPAC2-[[2-(1-benzylpyrrolidin-2-yl)ethylamino]methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CNCCC2CCCN2Cc2ccccc2)c1
InChIInChI=1S/C20H25N3O2/c24-20(25)17-8-11-22-18(13-17)14-21-10-9-19-7-4-12-23(19)15-16-5-2-1-3-6-16/h1-3,5-6,8,11,13,19,21H,4,7,9-10,12,14-15H2,(H,24,25)
InChIKeyJFLOOOFWWANEEU-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.92
Rot. Bonds8

About 2-[[2-(1-benzylpyrrolidin-2-yl)ethylamino]methyl]pyridine-4-carboxylic acid

2-[[2-(1-benzylpyrrolidin-2-yl)ethylamino]methyl]pyridine-4-carboxylic acid (PubChem CID 90093151) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[[2-(1-benzylpyrrolidin-2-yl)ethylamino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(1-benzylpyrrolidin-2-yl)ethylamino]methyl]pyridine-4-carboxylic acid
PubChem CID90093151
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-[[2-(1-benzylpyrrolidin-2-yl)ethylamino]methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CNCCC2CCCN2Cc2ccccc2)c1
InChIInChI=1S/C20H25N3O2/c24-20(25)17-8-11-22-18(13-17)14-21-10-9-19-7-4-12-23(19)15-16-5-2-1-3-6-16/h1-3,5-6,8,11,13,19,21H,4,7,9-10,12,14-15H2,(H,24,25)
InChIKeyJFLOOOFWWANEEU-UHFFFAOYSA-N
XLogP2.92
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[2-(1-benzylpyrrolidin-2-yl)ethylamino]methyl]pyridine-4-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone
CID 122375252
N-[3-(1-benzylpyrrolidin-2-yl)propyl]-2,2-diphenylacetamide
CID 167190709
1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(6-chloro-3-pyridinyl)urea
CID 97451631
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278
3-[[2-(2-methylpropyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 122028646
4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine
CID 124500070
N-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]pyrimidin-4-amine
CID 97126067
2-amino-N-[2-(1-benzylpiperidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 131894060
N-benzyl-3-(1-ethylpyrrolidin-2-yl)propan-1-amine
CID 102569978
3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine
CID 97167936
1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(2H-tetrazol-5-ylmethyl)urea
CID 126450941
3-[(2-pyrazin-2-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 110103100

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-benzylpyrrolidin-2-yl)ethylamino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[2-(1-benzylpyrrolidin-2-yl)ethylamino]methyl]pyridine-4-carboxylic acid (CID 90093151) is 2-[[2-(1-benzylpyrrolidin-2-yl)ethylamino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[2-(1-benzylpyrrolidin-2-yl)ethylamino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[2-(1-benzylpyrrolidin-2-yl)ethylamino]methyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(CNCCC2CCCN2Cc2ccccc2)c1.
What is the InChIKey of 2-[[2-(1-benzylpyrrolidin-2-yl)ethylamino]methyl]pyridine-4-carboxylic acid?
The InChIKey is JFLOOOFWWANEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-20(25)17-8-11-22-18(13-17)14-21-10-9-19-7-4-12-23(19)15-16-5-2-1-3-6-16/h1-3,5-6,8,11,13,19,21H,4,7,9-10,12,14-15H2,(H,24,25).
What are the key properties of 2-[[2-(1-benzylpyrrolidin-2-yl)ethylamino]methyl]pyridine-4-carboxylic acid?
2-[[2-(1-benzylpyrrolidin-2-yl)ethylamino]methyl]pyridine-4-carboxylic acid has a molecular weight of 339.44 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-benzylpyrrolidin-2-yl)ethylamino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90093151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).