4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid

C20H23N3O3 — CID 72885948

IUPAC4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)C(c2cccnc2)N2CCCC2)cc1
InChIInChI=1S/C20H23N3O3/c24-19(22-11-9-15-5-7-16(8-6-15)20(25)26)18(23-12-1-2-13-23)17-4-3-10-21-14-17/h3-8,10,14,18H,1-2,9,11-13H2,(H,22,24)(H,25,26)
InChIKeyBNVYIWNKXNJJIP-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.28
Rot. Bonds7

About 4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid

4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid (PubChem CID 72885948) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid
PubChem CID72885948
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)C(c2cccnc2)N2CCCC2)cc1
InChIInChI=1S/C20H23N3O3/c24-19(22-11-9-15-5-7-16(8-6-15)20(25)26)18(23-12-1-2-13-23)17-4-3-10-21-14-17/h3-8,10,14,18H,1-2,9,11-13H2,(H,22,24)(H,25,26)
InChIKeyBNVYIWNKXNJJIP-UHFFFAOYSA-N
XLogP2.28
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic 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

N-[2-(4-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
CID 177383040
(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 136861472
(2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97268430
(2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 97198876
N-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 74250862
N-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
CID 164930531
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 72861699
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 56739589
2-pyridin-3-yl-2-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 118769640
1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
CID 116860071
(2R)-N-[2-(2-fluorophenyl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97192696
N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 74240297

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid (CID 72885948) is 4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid is O=C(O)c1ccc(CCNC(=O)C(c2cccnc2)N2CCCC2)cc1.
What is the InChIKey of 4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid?
The InChIKey is BNVYIWNKXNJJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-19(22-11-9-15-5-7-16(8-6-15)20(25)26)18(23-12-1-2-13-23)17-4-3-10-21-14-17/h3-8,10,14,18H,1-2,9,11-13H2,(H,22,24)(H,25,26).
What are the key properties of 4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid?
4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid has a molecular weight of 353.42 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 72885948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).