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

C19H20N2O4 — CID 122055471

IUPAC2-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
SMILESCOc1ccccc1CC1CCCN1C(=O)c1cc(C(=O)O)ccn1
InChIInChI=1S/C19H20N2O4/c1-25-17-7-3-2-5-13(17)11-15-6-4-10-21(15)18(22)16-12-14(19(23)24)8-9-20-16/h2-3,5,7-9,12,15H,4,6,10-11H2,1H3,(H,23,24)
InChIKeyPMPASJOZVMRFIZ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.64
Rot. Bonds5

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

2-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid (PubChem CID 122055471) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
PubChem CID122055471
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
SMILESCOc1ccccc1CC1CCCN1C(=O)c1cc(C(=O)O)ccn1
InChIInChI=1S/C19H20N2O4/c1-25-17-7-3-2-5-13(17)11-15-6-4-10-21(15)18(22)16-12-14(19(23)24)8-9-20-16/h2-3,5,7-9,12,15H,4,6,10-11H2,1H3,(H,23,24)
InChIKeyPMPASJOZVMRFIZ-UHFFFAOYSA-N
XLogP2.64
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182996
[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 94816958
[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 51100049
2-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 21061889
[4-fluoro-3-(trifluoromethyl)phenyl]-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 94840195
[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 136579748
tert-butyl (2S)-2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 50905252
4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673250
[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 124687010
[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95151432
[(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 32822941
2-(2,3-dimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122056228

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid (CID 122055471) is 2-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid is COc1ccccc1CC1CCCN1C(=O)c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid?
The InChIKey is PMPASJOZVMRFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-25-17-7-3-2-5-13(17)11-15-6-4-10-21(15)18(22)16-12-14(19(23)24)8-9-20-16/h2-3,5,7-9,12,15H,4,6,10-11H2,1H3,(H,23,24).
What are the key properties of 2-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid?
2-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122055471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).