6-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyridine-2-carboxylic acid

C12H15N3O4 — CID 55125535

IUPAC6-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)N(CC(N)=O)C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C12H15N3O4/c1-7(2)15(6-10(13)16)11(17)8-4-3-5-9(14-8)12(18)19/h3-5,7H,6H2,1-2H3,(H2,13,16)(H,18,19)
InChIKeyUTFYFXHLLAXJOB-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.12
Rot. Bonds5

About 6-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyridine-2-carboxylic acid

6-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 55125535) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 6-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID55125535
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name6-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)N(CC(N)=O)C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C12H15N3O4/c1-7(2)15(6-10(13)16)11(17)8-4-3-5-9(14-8)12(18)19/h3-5,7H,6H2,1-2H3,(H2,13,16)(H,18,19)
InChIKeyUTFYFXHLLAXJOB-UHFFFAOYSA-N
XLogP0.12
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyridine-2-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

6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 82960080
6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61455935
N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylquinoline-8-carboxamide
CID 75373226
6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid
CID 119179216
3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide
CID 43572610
N-(2-amino-2-oxoethyl)-N-propan-2-ylnaphthalene-2-carboxamide
CID 4801962
3-amino-N-(2-amino-2-oxoethyl)-2-bromo-N-propan-2-ylbenzamide
CID 113366951
CID 91986542
CID 91986542
6-[[(4-amino-4-oxobutan-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 106905000
N-(2-amino-2-oxoethyl)-2-bromo-6-fluoro-N-propan-2-ylbenzamide
CID 115678505
3-[3-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]phenyl]prop-2-enoic acid
CID 76910322
6-(2-aminopropoxy)pyridine-2-carboxylic acid
CID 154848823

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyridine-2-carboxylic acid (CID 55125535) is 6-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyridine-2-carboxylic acid is CC(C)N(CC(N)=O)C(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is UTFYFXHLLAXJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-7(2)15(6-10(13)16)11(17)8-4-3-5-9(14-8)12(18)19/h3-5,7H,6H2,1-2H3,(H2,13,16)(H,18,19).
What are the key properties of 6-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyridine-2-carboxylic acid?
6-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 55125535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).