2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6-phenylpyridine-3-carboxylic acid

C20H22N2O3 — CID 70746184

IUPAC2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6-phenylpyridine-3-carboxylic acid
SMILESC[C@@H]1CN(c2nc(-c3ccccc3)ccc2C(=O)O)C[C@@]1(O)C1CC1
InChIInChI=1S/C20H22N2O3/c1-13-11-22(12-20(13,25)15-7-8-15)18-16(19(23)24)9-10-17(21-18)14-5-3-2-4-6-14/h2-6,9-10,13,15,25H,7-8,11-12H2,1H3,(H,23,24)/t13-,20+/m1/s1
InChIKeyJQROXYSFWVFZGR-XCLFUZPHSA-N
MW338.41 g/mol
LogP3.04
Rot. Bonds4

About 2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6-phenylpyridine-3-carboxylic acid

2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6-phenylpyridine-3-carboxylic acid (PubChem CID 70746184) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6-phenylpyridine-3-carboxylic acid
PubChem CID70746184
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6-phenylpyridine-3-carboxylic acid
SMILESC[C@@H]1CN(c2nc(-c3ccccc3)ccc2C(=O)O)C[C@@]1(O)C1CC1
InChIInChI=1S/C20H22N2O3/c1-13-11-22(12-20(13,25)15-7-8-15)18-16(19(23)24)9-10-17(21-18)14-5-3-2-4-6-14/h2-6,9-10,13,15,25H,7-8,11-12H2,1H3,(H,23,24)/t13-,20+/m1/s1
InChIKeyJQROXYSFWVFZGR-XCLFUZPHSA-N
XLogP3.04
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-6-phenylpyridine-3-carboxylic acid
CID 135114621
2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-6-phenylpyridine-3-carboxylic acid
CID 155494186
6-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 86283729
2-[3a-[(dimethylamino)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-6-(4-methoxyphenyl)pyridine-3-carboxylic acid;dihydrochloride
CID 154917186
[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(2-methoxyquinolin-4-yl)methanone
CID 70746098
2-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-6-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 95896523
6-phenyl-2-propylpyridine-3-carboxylic acid
CID 112693851
2-ethyl-6-phenylpyridine-3-carboxylic acid
CID 91810897
(4-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883923
6-(4-fluorophenyl)-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylic acid
CID 56881635
(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(2-morpholin-4-yl-6-phenyl-3-pyridinyl)methanone
CID 45247250
2-[(3R)-3-(3-amino-3-oxopropyl)piperidin-1-yl]-6-(4-methoxyphenyl)pyridine-3-carboxylic acid
CID 171359553

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6-phenylpyridine-3-carboxylic acid?
The IUPAC name of 2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6-phenylpyridine-3-carboxylic acid (CID 70746184) is 2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6-phenylpyridine-3-carboxylic acid is C[C@@H]1CN(c2nc(-c3ccccc3)ccc2C(=O)O)C[C@@]1(O)C1CC1.
What is the InChIKey of 2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6-phenylpyridine-3-carboxylic acid?
The InChIKey is JQROXYSFWVFZGR-XCLFUZPHSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-11-22(12-20(13,25)15-7-8-15)18-16(19(23)24)9-10-17(21-18)14-5-3-2-4-6-14/h2-6,9-10,13,15,25H,7-8,11-12H2,1H3,(H,23,24)/t13-,20+/m1/s1.
What are the key properties of 2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6-phenylpyridine-3-carboxylic acid?
2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6-phenylpyridine-3-carboxylic acid has a molecular weight of 338.41 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-6-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 70746184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).