6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid

C17H18N2O2 — CID 122053185

IUPAC6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCc1cccc(C2CCCN2c2cccc(C(=O)O)n2)c1
InChIInChI=1S/C17H18N2O2/c1-12-5-2-6-13(11-12)15-8-4-10-19(15)16-9-3-7-14(18-16)17(20)21/h2-3,5-7,9,11,15H,4,8,10H2,1H3,(H,20,21)
InChIKeyNBHLFRDAVRUYDC-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.43
Rot. Bonds3

About 6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid

6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122053185) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122053185
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCc1cccc(C2CCCN2c2cccc(C(=O)O)n2)c1
InChIInChI=1S/C17H18N2O2/c1-12-5-2-6-13(11-12)15-8-4-10-19(15)16-9-3-7-14(18-16)17(20)21/h2-3,5-7,9,11,15H,4,8,10H2,1H3,(H,20,21)
InChIKeyNBHLFRDAVRUYDC-UHFFFAOYSA-N
XLogP3.43
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[2-(3-methylphenyl)pyrrolidin-1-yl]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

6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122053434
6-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122053568
(2S)-1-methyl-2-(3-methylphenyl)pyrrolidine
CID 102036806
6-[4-(3-methylanilino)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053938
2-(3-cyclopropylphenyl)-1-(3-methylphenyl)pyrrolidine
CID 134300269
2-chloro-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 166174148
(2S)-2-(3-methylphenyl)-1-methylsulfonylpyrrolidine
CID 51694768
(2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 119288516
6-[6-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid
CID 58335463
2-(3-methylphenyl)pyrrolidine-1-carbaldehyde;hydrochloride
CID 175371081
N-[4-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 87630559
6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122048644

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (CID 122053185) is 6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is Cc1cccc(C2CCCN2c2cccc(C(=O)O)n2)c1.
What is the InChIKey of 6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is NBHLFRDAVRUYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-5-2-6-13(11-12)15-8-4-10-19(15)16-9-3-7-14(18-16)17(20)21/h2-3,5-7,9,11,15H,4,8,10H2,1H3,(H,20,21).
What are the key properties of 6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).