5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pyridine-3-carboxylic acid

C12H14N4O4 — CID 64694947

IUPAC5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCN1CCN(C(=O)Nc2cncc(C(=O)O)c2)CC1=O
InChIInChI=1S/C12H14N4O4/c1-15-2-3-16(7-10(15)17)12(20)14-9-4-8(11(18)19)5-13-6-9/h4-6H,2-3,7H2,1H3,(H,14,20)(H,18,19)
InChIKeyUVNLDNJNBSUKMJ-UHFFFAOYSA-N
MW278.27 g/mol
LogP0.09
Rot. Bonds2

About 5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pyridine-3-carboxylic acid

5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 64694947) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID64694947
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCN1CCN(C(=O)Nc2cncc(C(=O)O)c2)CC1=O
InChIInChI=1S/C12H14N4O4/c1-15-2-3-16(7-10(15)17)12(20)14-9-4-8(11(18)19)5-13-6-9/h4-6H,2-3,7H2,1H3,(H,14,20)(H,18,19)
InChIKeyUVNLDNJNBSUKMJ-UHFFFAOYSA-N
XLogP0.09
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]benzoic acid
CID 64695553
5-[(4,4-dimethylazepane-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 65282409
2-chloro-4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]benzoic acid
CID 64694531
2-bromo-5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]benzoic acid
CID 115296951
5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyridine-3-carboxylic acid
CID 66371481
5-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157861
5-[(2,2-dimethylmorpholine-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157892
5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 112626767
5-[(3-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157800
5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 63978450
5-[(1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 63153723
5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid
CID 64667847

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pyridine-3-carboxylic acid (CID 64694947) is 5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pyridine-3-carboxylic acid is CN1CCN(C(=O)Nc2cncc(C(=O)O)c2)CC1=O.
What is the InChIKey of 5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is UVNLDNJNBSUKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-15-2-3-16(7-10(15)17)12(20)14-9-4-8(11(18)19)5-13-6-9/h4-6H,2-3,7H2,1H3,(H,14,20)(H,18,19).
What are the key properties of 5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pyridine-3-carboxylic acid?
5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 278.27 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 64694947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).