2-methyl-6-(2-methyl-3-oxopiperazine-1-carbonyl)pyridine-3-carboxylic acid

C13H15N3O4 — CID 63608011

IUPAC2-methyl-6-(2-methyl-3-oxopiperazine-1-carbonyl)pyridine-3-carboxylic acid
SMILESCc1nc(C(=O)N2CCNC(=O)C2C)ccc1C(=O)O
InChIInChI=1S/C13H15N3O4/c1-7-9(13(19)20)3-4-10(15-7)12(18)16-6-5-14-11(17)8(16)2/h3-4,8H,5-6H2,1-2H3,(H,14,17)(H,19,20)
InChIKeyPSQNWOQKSMGOJM-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.05
Rot. Bonds2

About 2-methyl-6-(2-methyl-3-oxopiperazine-1-carbonyl)pyridine-3-carboxylic acid

2-methyl-6-(2-methyl-3-oxopiperazine-1-carbonyl)pyridine-3-carboxylic acid (PubChem CID 63608011) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-methyl-6-(2-methyl-3-oxopiperazine-1-carbonyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-(2-methyl-3-oxopiperazine-1-carbonyl)pyridine-3-carboxylic acid
PubChem CID63608011
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name2-methyl-6-(2-methyl-3-oxopiperazine-1-carbonyl)pyridine-3-carboxylic acid
SMILESCc1nc(C(=O)N2CCNC(=O)C2C)ccc1C(=O)O
InChIInChI=1S/C13H15N3O4/c1-7-9(13(19)20)3-4-10(15-7)12(18)16-6-5-14-11(17)8(16)2/h3-4,8H,5-6H2,1-2H3,(H,14,17)(H,19,20)
InChIKeyPSQNWOQKSMGOJM-UHFFFAOYSA-N
XLogP0.05
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methyl-3-oxopiperazine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120685364
4-(2,6-dimethylquinoline-3-carbonyl)-3-methylpiperazin-2-one
CID 46994284
3-methyl-4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-2-one
CID 63090398
4-(4-chloro-2-methylbenzoyl)-3-methylpiperazin-2-one
CID 103779351
3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 63373484
3-methyl-4-[6-(propylamino)pyridine-2-carbonyl]piperazin-2-one
CID 63600748
(3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one
CID 25283883
4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one
CID 81241204
(3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one
CID 25283888
4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one
CID 63373754
3-methyl-4-(5-methylfuran-2-carbonyl)piperazin-2-one
CID 63373501
4-(2-aminoquinoline-4-carbonyl)-3-methylpiperazin-2-one
CID 63600921

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methyl-3-oxopiperazine-1-carbonyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-6-(2-methyl-3-oxopiperazine-1-carbonyl)pyridine-3-carboxylic acid (CID 63608011) is 2-methyl-6-(2-methyl-3-oxopiperazine-1-carbonyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-(2-methyl-3-oxopiperazine-1-carbonyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-(2-methyl-3-oxopiperazine-1-carbonyl)pyridine-3-carboxylic acid is Cc1nc(C(=O)N2CCNC(=O)C2C)ccc1C(=O)O.
What is the InChIKey of 2-methyl-6-(2-methyl-3-oxopiperazine-1-carbonyl)pyridine-3-carboxylic acid?
The InChIKey is PSQNWOQKSMGOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-7-9(13(19)20)3-4-10(15-7)12(18)16-6-5-14-11(17)8(16)2/h3-4,8H,5-6H2,1-2H3,(H,14,17)(H,19,20).
What are the key properties of 2-methyl-6-(2-methyl-3-oxopiperazine-1-carbonyl)pyridine-3-carboxylic acid?
2-methyl-6-(2-methyl-3-oxopiperazine-1-carbonyl)pyridine-3-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methyl-3-oxopiperazine-1-carbonyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63608011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).