1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid

C17H19N3O3 — CID 119354818

IUPAC1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CCC(C(=O)O)C2)c(C)n1-c1ccccn1
InChIInChI=1S/C17H19N3O3/c1-11-9-14(12(2)20(11)15-5-3-4-7-18-15)16(21)19-8-6-13(10-19)17(22)23/h3-5,7,9,13H,6,8,10H2,1-2H3,(H,22,23)
InChIKeyCEFUNRZGGGBNNT-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.04
Rot. Bonds3

About 1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid

1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 119354818) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID119354818
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CCC(C(=O)O)C2)c(C)n1-c1ccccn1
InChIInChI=1S/C17H19N3O3/c1-11-9-14(12(2)20(11)15-5-3-4-7-18-15)16(21)19-8-6-13(10-19)17(22)23/h3-5,7,9,13H,6,8,10H2,1-2H3,(H,22,23)
InChIKeyCEFUNRZGGGBNNT-UHFFFAOYSA-N
XLogP2.04
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze 1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)pyrrolidine-3-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

[(3R)-3-aminopyrrolidin-1-yl]-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanone
CID 119412148
1-[1-(3-chlorophenyl)-2,5-dimethylpyrrole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354933
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanone
CID 120659674
(2R,3R)-1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116249
(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 78863039
1-[4-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56520501
(3R)-1-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124695003
(3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 124682210
(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 55931165
(2,3-dimethylpiperazin-1-yl)-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanone
CID 120571350
2-[cyclopropyl-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)amino]propanoic acid
CID 122067279
(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[(3R)-3-(2-hydroxyethyl)morpholin-4-yl]methanone
CID 97251314

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 119354818) is 1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid is Cc1cc(C(=O)N2CCC(C(=O)O)C2)c(C)n1-c1ccccn1.
What is the InChIKey of 1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is CEFUNRZGGGBNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-9-14(12(2)20(11)15-5-3-4-7-18-15)16(21)19-8-6-13(10-19)17(22)23/h3-5,7,9,13H,6,8,10H2,1-2H3,(H,22,23).
What are the key properties of 1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid?
1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119354818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).