2-(2-methylbutanoylamino)pyridine-3-carboxylic acid

C11H14N2O3 — CID 63654439

IUPAC2-(2-methylbutanoylamino)pyridine-3-carboxylic acid
SMILESCCC(C)C(=O)Nc1ncccc1C(=O)O
InChIInChI=1S/C11H14N2O3/c1-3-7(2)10(14)13-9-8(11(15)16)5-4-6-12-9/h4-7H,3H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyBFMDOGWSCRSKBS-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.76
Rot. Bonds4

About 2-(2-methylbutanoylamino)pyridine-3-carboxylic acid

2-(2-methylbutanoylamino)pyridine-3-carboxylic acid (PubChem CID 63654439) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(2-methylbutanoylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylbutanoylamino)pyridine-3-carboxylic acid
PubChem CID63654439
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(2-methylbutanoylamino)pyridine-3-carboxylic acid
SMILESCCC(C)C(=O)Nc1ncccc1C(=O)O
InChIInChI=1S/C11H14N2O3/c1-3-7(2)10(14)13-9-8(11(15)16)5-4-6-12-9/h4-7H,3H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyBFMDOGWSCRSKBS-UHFFFAOYSA-N
XLogP1.76
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylbutanoylamino)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

N-(2-bromo-3-pyridinyl)-2-methylbutanamide
CID 103819396
2-(2-oxopropylamino)pyridine-3-carboxylic acid
CID 89326661
2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-3-carboxylic acid
CID 63960048
2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid
CID 63651997
2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid
CID 106900004
2-(hexylamino)pyridine-3-carboxylic acid
CID 14222051
2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid
CID 63652524
2-(pyridine-2-carbonylamino)pyridine-3-carboxylic acid
CID 63654263
2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]pyridine-3-carboxylic acid
CID 66695427
2-[[methyl(propan-2-yl)sulfamoyl]amino]pyridine-3-carboxylic acid
CID 55245219
2-formamidopyridine-3-carboxylic acid
CID 54137252
2-(benzhydrylamino)pyridine-3-carboxylic acid
CID 82341815

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutanoylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-methylbutanoylamino)pyridine-3-carboxylic acid (CID 63654439) is 2-(2-methylbutanoylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-methylbutanoylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-methylbutanoylamino)pyridine-3-carboxylic acid is CCC(C)C(=O)Nc1ncccc1C(=O)O.
What is the InChIKey of 2-(2-methylbutanoylamino)pyridine-3-carboxylic acid?
The InChIKey is BFMDOGWSCRSKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-3-7(2)10(14)13-9-8(11(15)16)5-4-6-12-9/h4-7H,3H2,1-2H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-(2-methylbutanoylamino)pyridine-3-carboxylic acid?
2-(2-methylbutanoylamino)pyridine-3-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutanoylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63654439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).