2-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid

C18H18N2O4 — CID 122055956

IUPAC2-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
SMILESCOc1ccc(C2CCN(C(=O)c3cc(C(=O)O)ccn3)C2)cc1
InChIInChI=1S/C18H18N2O4/c1-24-15-4-2-12(3-5-15)14-7-9-20(11-14)17(21)16-10-13(18(22)23)6-8-19-16/h2-6,8,10,14H,7,9,11H2,1H3,(H,22,23)
InChIKeyDHOQICOXEMPDCN-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.42
Rot. Bonds4

About 2-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid

2-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid (PubChem CID 122055956) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
PubChem CID122055956
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
SMILESCOc1ccc(C2CCN(C(=O)c3cc(C(=O)O)ccn3)C2)cc1
InChIInChI=1S/C18H18N2O4/c1-24-15-4-2-12(3-5-15)14-7-9-20(11-14)17(21)16-10-13(18(22)23)6-8-19-16/h2-6,8,10,14H,7,9,11H2,1H3,(H,22,23)
InChIKeyDHOQICOXEMPDCN-UHFFFAOYSA-N
XLogP2.42
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055264
(3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 86780197
5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124687783
2-(4-tert-butylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055710
5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 124687784
2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055947
2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122056069
(2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480756
[3-(4-methoxyphenyl)azepan-1-yl]-naphthalen-2-ylmethanone
CID 121146989
4-[(3R)-1-(3,5-difluoro-4-methoxybenzoyl)pyrrolidin-3-yl]benzoic acid
CID 95725573
2-[3-(3-methylbutoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055980
[(3S)-3-(4-methoxyphenyl)azepan-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 99876778

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid (CID 122055956) is 2-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid is COc1ccc(C2CCN(C(=O)c3cc(C(=O)O)ccn3)C2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid?
The InChIKey is DHOQICOXEMPDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-24-15-4-2-12(3-5-15)14-7-9-20(11-14)17(21)16-10-13(18(22)23)6-8-19-16/h2-6,8,10,14H,7,9,11H2,1H3,(H,22,23).
What are the key properties of 2-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid?
2-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid has a molecular weight of 326.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122055956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).