1-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid

C13H16N2O4 — CID 81165491

IUPAC1-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCc1cc(C)c(C(=O)NC2(C(=O)O)CCC2)c(=O)[nH]1
InChIInChI=1S/C13H16N2O4/c1-7-6-8(2)14-10(16)9(7)11(17)15-13(12(18)19)4-3-5-13/h6H,3-5H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyDAQJRNLVWUHZLH-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.73
Rot. Bonds3

About 1-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid

1-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81165491) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81165491
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCc1cc(C)c(C(=O)NC2(C(=O)O)CCC2)c(=O)[nH]1
InChIInChI=1S/C13H16N2O4/c1-7-6-8(2)14-10(16)9(7)11(17)15-13(12(18)19)4-3-5-13/h6H,3-5H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyDAQJRNLVWUHZLH-UHFFFAOYSA-N
XLogP0.73
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 81165491) is 1-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid is Cc1cc(C)c(C(=O)NC2(C(=O)O)CCC2)c(=O)[nH]1.
What is the InChIKey of 1-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is DAQJRNLVWUHZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-7-6-8(2)14-10(16)9(7)11(17)15-13(12(18)19)4-3-5-13/h6H,3-5H2,1-2H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 1-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81165491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).