3-methyl-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]pyrrolidine-3-carboxylic acid

C20H22N2O4 — CID 119256185

IUPAC3-methyl-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCc1cccc(Cn2cccc(C(=O)N3CCC(C)(C(=O)O)C3)c2=O)c1
InChIInChI=1S/C20H22N2O4/c1-14-5-3-6-15(11-14)12-21-9-4-7-16(17(21)23)18(24)22-10-8-20(2,13-22)19(25)26/h3-7,9,11H,8,10,12-13H2,1-2H3,(H,25,26)
InChIKeyDGQYJNTZKNKEEJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.14
Rot. Bonds4

About 3-methyl-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]pyrrolidine-3-carboxylic acid

3-methyl-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 119256185) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-methyl-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID119256185
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-methyl-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCc1cccc(Cn2cccc(C(=O)N3CCC(C)(C(=O)O)C3)c2=O)c1
InChIInChI=1S/C20H22N2O4/c1-14-5-3-6-15(11-14)12-21-9-4-7-16(17(21)23)18(24)22-10-8-20(2,13-22)19(25)26/h3-7,9,11H,8,10,12-13H2,1-2H3,(H,25,26)
InChIKeyDGQYJNTZKNKEEJ-UHFFFAOYSA-N
XLogP2.14
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-2-carboxylic acid
CID 126786953
3-[(3S)-3-ethylpiperidine-1-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 52539460
3-[(2R)-2-ethylmorpholine-4-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 95584378
(3R)-4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-3-carboxylic acid
CID 125151027
potassium 5-hydroxy-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]piperidine-3-carboxylate
CID 167838857
N-[(1-hydroxycyclobutyl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 111445693
N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-N-phenylpyridine-3-carboxamide
CID 7598420
1-(2-bromo-5-methylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 81110258
4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid
CID 63123391
N-(2-hydroxyethyl)-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110907214
3-methyl-1-(1-methylindole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256600
N-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110907215

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]pyrrolidine-3-carboxylic acid (CID 119256185) is 3-methyl-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]pyrrolidine-3-carboxylic acid is Cc1cccc(Cn2cccc(C(=O)N3CCC(C)(C(=O)O)C3)c2=O)c1.
What is the InChIKey of 3-methyl-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is DGQYJNTZKNKEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14-5-3-6-15(11-14)12-21-9-4-7-16(17(21)23)18(24)22-10-8-20(2,13-22)19(25)26/h3-7,9,11H,8,10,12-13H2,1-2H3,(H,25,26).
What are the key properties of 3-methyl-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 354.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119256185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).