4-methyl-1-[2-methyl-5-(propan-2-ylcarbamoyl)phenyl]-2-oxopyridine-3-carboxylic acid

C18H20N2O4 — CID 170502608

IUPAC4-methyl-1-[2-methyl-5-(propan-2-ylcarbamoyl)phenyl]-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)NC(C)C)cc1-n1ccc(C)c(C(=O)O)c1=O
InChIInChI=1S/C18H20N2O4/c1-10(2)19-16(21)13-6-5-11(3)14(9-13)20-8-7-12(4)15(17(20)22)18(23)24/h5-10H,1-4H3,(H,19,21)(H,23,24)
InChIKeyRHXUKBKHERDFOY-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.29
Rot. Bonds4

About 4-methyl-1-[2-methyl-5-(propan-2-ylcarbamoyl)phenyl]-2-oxopyridine-3-carboxylic acid

4-methyl-1-[2-methyl-5-(propan-2-ylcarbamoyl)phenyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 170502608) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-methyl-1-[2-methyl-5-(propan-2-ylcarbamoyl)phenyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[2-methyl-5-(propan-2-ylcarbamoyl)phenyl]-2-oxopyridine-3-carboxylic acid
PubChem CID170502608
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name4-methyl-1-[2-methyl-5-(propan-2-ylcarbamoyl)phenyl]-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)NC(C)C)cc1-n1ccc(C)c(C(=O)O)c1=O
InChIInChI=1S/C18H20N2O4/c1-10(2)19-16(21)13-6-5-11(3)14(9-13)20-8-7-12(4)15(17(20)22)18(23)24/h5-10H,1-4H3,(H,19,21)(H,23,24)
InChIKeyRHXUKBKHERDFOY-UHFFFAOYSA-N
XLogP2.29
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-methyl-5-(propan-2-ylcarbamoyl)phenyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[2-methyl-5-(propan-2-ylcarbamoyl)phenyl]-2-oxopyridine-3-carboxylic acid (CID 170502608) is 4-methyl-1-[2-methyl-5-(propan-2-ylcarbamoyl)phenyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[2-methyl-5-(propan-2-ylcarbamoyl)phenyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[2-methyl-5-(propan-2-ylcarbamoyl)phenyl]-2-oxopyridine-3-carboxylic acid is Cc1ccc(C(=O)NC(C)C)cc1-n1ccc(C)c(C(=O)O)c1=O.
What is the InChIKey of 4-methyl-1-[2-methyl-5-(propan-2-ylcarbamoyl)phenyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is RHXUKBKHERDFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-10(2)19-16(21)13-6-5-11(3)14(9-13)20-8-7-12(4)15(17(20)22)18(23)24/h5-10H,1-4H3,(H,19,21)(H,23,24).
What are the key properties of 4-methyl-1-[2-methyl-5-(propan-2-ylcarbamoyl)phenyl]-2-oxopyridine-3-carboxylic acid?
4-methyl-1-[2-methyl-5-(propan-2-ylcarbamoyl)phenyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-methyl-5-(propan-2-ylcarbamoyl)phenyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 170502608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).