4-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid

C18H17FN2O3 — CID 120692128

IUPAC4-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCC1CC(c2cccc(F)c2)N(C(=O)c2ccnc(C(=O)O)c2)C1
InChIInChI=1S/C18H17FN2O3/c1-11-7-16(12-3-2-4-14(19)8-12)21(10-11)17(22)13-5-6-20-15(9-13)18(23)24/h2-6,8-9,11,16H,7,10H2,1H3,(H,23,24)
InChIKeyPXLKGGKXRRDKFD-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.14
Rot. Bonds3

About 4-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid

4-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 120692128) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID120692128
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name4-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCC1CC(c2cccc(F)c2)N(C(=O)c2ccnc(C(=O)O)c2)C1
InChIInChI=1S/C18H17FN2O3/c1-11-7-16(12-3-2-4-14(19)8-12)21(10-11)17(22)13-5-6-20-15(9-13)18(23)24/h2-6,8-9,11,16H,7,10H2,1H3,(H,23,24)
InChIKeyPXLKGGKXRRDKFD-UHFFFAOYSA-N
XLogP3.14
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]pyridine-2-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

1-[2-[(2S,4S)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
CID 129469988
4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700611
2-(3-fluorophenyl)-N,4-dimethylpyrrolidine-1-carboxamide
CID 136528712
6-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 154838786
2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone
CID 119329380
(2R)-2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]propan-1-one
CID 119329386
2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone;hydrochloride
CID 119329379
1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119793860
1-[(2R,4S)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methylsulfonylpropan-1-one
CID 95979608
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
4-[[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023377
(3-fluorophenyl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 125141501

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid (CID 120692128) is 4-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid is CC1CC(c2cccc(F)c2)N(C(=O)c2ccnc(C(=O)O)c2)C1.
What is the InChIKey of 4-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is PXLKGGKXRRDKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-11-7-16(12-3-2-4-14(19)8-12)21(10-11)17(22)13-5-6-20-15(9-13)18(23)24/h2-6,8-9,11,16H,7,10H2,1H3,(H,23,24).
What are the key properties of 4-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
4-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 328.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 120692128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).