1-(3-methoxy-4-pyrrolidin-1-ylphenyl)-4-methyl-2-oxopyridine-3-carboxylic acid

C18H20N2O4 — CID 170503166

IUPAC1-(3-methoxy-4-pyrrolidin-1-ylphenyl)-4-methyl-2-oxopyridine-3-carboxylic acid
SMILESCOc1cc(-n2ccc(C)c(C(=O)O)c2=O)ccc1N1CCCC1
InChIInChI=1S/C18H20N2O4/c1-12-7-10-20(17(21)16(12)18(22)23)13-5-6-14(15(11-13)24-2)19-8-3-4-9-19/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,22,23)
InChIKeyWICHXMMJYIOBIY-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.45
Rot. Bonds4

About 1-(3-methoxy-4-pyrrolidin-1-ylphenyl)-4-methyl-2-oxopyridine-3-carboxylic acid

1-(3-methoxy-4-pyrrolidin-1-ylphenyl)-4-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 170503166) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-(3-methoxy-4-pyrrolidin-1-ylphenyl)-4-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxy-4-pyrrolidin-1-ylphenyl)-4-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID170503166
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name1-(3-methoxy-4-pyrrolidin-1-ylphenyl)-4-methyl-2-oxopyridine-3-carboxylic acid
SMILESCOc1cc(-n2ccc(C)c(C(=O)O)c2=O)ccc1N1CCCC1
InChIInChI=1S/C18H20N2O4/c1-12-7-10-20(17(21)16(12)18(22)23)13-5-6-14(15(11-13)24-2)19-8-3-4-9-19/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,22,23)
InChIKeyWICHXMMJYIOBIY-UHFFFAOYSA-N
XLogP2.45
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carboxylic acid
CID 82123884
4-methyl-1-(1-methylbenzotriazol-5-yl)-2-oxopyridine-3-carboxylic acid
CID 170504906
4-methyl-1-[2-methyl-5-(propan-2-ylcarbamoyl)phenyl]-2-oxopyridine-3-carboxylic acid
CID 170502608
1-[6-(dimethylamino)-3-pyridinyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170505245
1-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170510576
2-methyl-6-piperidin-1-ylbenzoic acid
CID 79694992
methyl 1-[1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonyl]azetidine-3-carboxylate
CID 172656047
2-(2-methoxy-4-piperidin-1-ylphenyl)isoindole-1,3-dione
CID 168516530
6-(4-fluorophenyl)-3-(3-methoxy-4-pyrrolidin-1-ylphenyl)thieno[3,2-d]pyrimidin-4-one
CID 58851842
1-(2-methoxy-4-methylphenyl)piperazine
CID 10488507
3-[(3-methoxy-4-piperidin-1-ylphenyl)methyl-methylamino]propanoic acid
CID 84754666
3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 172666521

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-pyrrolidin-1-ylphenyl)-4-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(3-methoxy-4-pyrrolidin-1-ylphenyl)-4-methyl-2-oxopyridine-3-carboxylic acid (CID 170503166) is 1-(3-methoxy-4-pyrrolidin-1-ylphenyl)-4-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methoxy-4-pyrrolidin-1-ylphenyl)-4-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(3-methoxy-4-pyrrolidin-1-ylphenyl)-4-methyl-2-oxopyridine-3-carboxylic acid is COc1cc(-n2ccc(C)c(C(=O)O)c2=O)ccc1N1CCCC1.
What is the InChIKey of 1-(3-methoxy-4-pyrrolidin-1-ylphenyl)-4-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is WICHXMMJYIOBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12-7-10-20(17(21)16(12)18(22)23)13-5-6-14(15(11-13)24-2)19-8-3-4-9-19/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,22,23).
What are the key properties of 1-(3-methoxy-4-pyrrolidin-1-ylphenyl)-4-methyl-2-oxopyridine-3-carboxylic acid?
1-(3-methoxy-4-pyrrolidin-1-ylphenyl)-4-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-pyrrolidin-1-ylphenyl)-4-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 170503166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).