4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-methylpiperazine-2-carboxylic acid

C14H19N3O4 — CID 56705242

IUPAC4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-methylpiperazine-2-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CCN(C)C(C(=O)O)C2)c(=O)[nH]1
InChIInChI=1S/C14H19N3O4/c1-8-6-9(2)15-12(18)11(8)13(19)17-5-4-16(3)10(7-17)14(20)21/h6,10H,4-5,7H2,1-3H3,(H,15,18)(H,20,21)
InChIKeyLBLGGSZGBBIYQJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP-0.17
Rot. Bonds2

About 4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-methylpiperazine-2-carboxylic acid

4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-methylpiperazine-2-carboxylic acid (PubChem CID 56705242) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-methylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-methylpiperazine-2-carboxylic acid
PubChem CID56705242
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-methylpiperazine-2-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CCN(C)C(C(=O)O)C2)c(=O)[nH]1
InChIInChI=1S/C14H19N3O4/c1-8-6-9(2)15-12(18)11(8)13(19)17-5-4-16(3)10(7-17)14(20)21/h6,10H,4-5,7H2,1-3H3,(H,15,18)(H,20,21)
InChIKeyLBLGGSZGBBIYQJ-UHFFFAOYSA-N
XLogP-0.17
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-methylpiperazine-2-carboxylic acid?
The IUPAC name of 4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-methylpiperazine-2-carboxylic acid (CID 56705242) is 4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-methylpiperazine-2-carboxylic acid.
What is the SMILES notation for 4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-methylpiperazine-2-carboxylic acid?
The canonical SMILES for 4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-methylpiperazine-2-carboxylic acid is Cc1cc(C)c(C(=O)N2CCN(C)C(C(=O)O)C2)c(=O)[nH]1.
What is the InChIKey of 4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-methylpiperazine-2-carboxylic acid?
The InChIKey is LBLGGSZGBBIYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-8-6-9(2)15-12(18)11(8)13(19)17-5-4-16(3)10(7-17)14(20)21/h6,10H,4-5,7H2,1-3H3,(H,15,18)(H,20,21).
What are the key properties of 4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-methylpiperazine-2-carboxylic acid?
4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-methylpiperazine-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-methylpiperazine-2-carboxylic acid is sourced from PubChem (CID 56705242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).