6-(2-methyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid

C18H18N2O3 — CID 119186871

IUPAC6-(2-methyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
SMILESCC1C(c2ccccc2)CCN1C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C18H18N2O3/c1-12-14(13-6-3-2-4-7-13)10-11-20(12)17(21)15-8-5-9-16(19-15)18(22)23/h2-9,12,14H,10-11H2,1H3,(H,22,23)
InChIKeyKRNNLSBWKMQPMR-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.80
Rot. Bonds3

About 6-(2-methyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid

6-(2-methyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid (PubChem CID 119186871) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 6-(2-methyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-methyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
PubChem CID119186871
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name6-(2-methyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
SMILESCC1C(c2ccccc2)CCN1C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C18H18N2O3/c1-12-14(13-6-3-2-4-7-13)10-11-20(12)17(21)15-8-5-9-16(19-15)18(22)23/h2-9,12,14H,10-11H2,1H3,(H,22,23)
InChIKeyKRNNLSBWKMQPMR-UHFFFAOYSA-N
XLogP2.80
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorophenyl)-[(2S,3R)-2-methyl-3-phenylpyrrolidin-1-yl]methanone
CID 95974609
(2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
CID 110868702
2-methyl-1-(6-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 79363782
2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic acid
CID 119186874
3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)-5-nitrobenzoic acid
CID 119186866
(1-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone
CID 119337122
6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 61424915
CID 91986542
CID 91986542
(6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 115497092
(3-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119807327
6-(piperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558285
6-[(2R)-2-(propan-2-yloxymethyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 58714878

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2-methyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid (CID 119186871) is 6-(2-methyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-methyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-methyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid is CC1C(c2ccccc2)CCN1C(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-(2-methyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is KRNNLSBWKMQPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-14(13-6-3-2-4-7-13)10-11-20(12)17(21)15-8-5-9-16(19-15)18(22)23/h2-9,12,14H,10-11H2,1H3,(H,22,23).
What are the key properties of 6-(2-methyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid?
6-(2-methyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 310.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 119186871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).