5-[methyl(3-methylbutanoyl)amino]pyridine-2-carboxylic acid

C12H16N2O3 — CID 115268096

IUPAC5-[methyl(3-methylbutanoyl)amino]pyridine-2-carboxylic acid
SMILESCC(C)CC(=O)N(C)c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H16N2O3/c1-8(2)6-11(15)14(3)9-4-5-10(12(16)17)13-7-9/h4-5,7-8H,6H2,1-3H3,(H,16,17)
InChIKeyYJPBBDIICFIGMV-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.79
Rot. Bonds4

About 5-[methyl(3-methylbutanoyl)amino]pyridine-2-carboxylic acid

5-[methyl(3-methylbutanoyl)amino]pyridine-2-carboxylic acid (PubChem CID 115268096) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-[methyl(3-methylbutanoyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(3-methylbutanoyl)amino]pyridine-2-carboxylic acid
PubChem CID115268096
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-[methyl(3-methylbutanoyl)amino]pyridine-2-carboxylic acid
SMILESCC(C)CC(=O)N(C)c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H16N2O3/c1-8(2)6-11(15)14(3)9-4-5-10(12(16)17)13-7-9/h4-5,7-8H,6H2,1-3H3,(H,16,17)
InChIKeyYJPBBDIICFIGMV-UHFFFAOYSA-N
XLogP1.79
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[methyl(3-methylbutanoyl)amino]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

5-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
CID 115490768
5-[propan-2-yl(propyl)amino]pyridine-2-carboxylic acid
CID 115490777
5-[cyclopentyl(methyl)amino]pyridine-2-carboxylic acid
CID 115490773
5-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboxylic acid
CID 104638983
N-(3,4-dimethylphenyl)-N,3-dimethylbutanamide
CID 123550338
5-[butan-2-yl(ethyl)amino]pyridine-2-carboxylic acid
CID 115490776
5-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carboxylic acid
CID 115490822
CID 59369453
CID 59369453
5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid
CID 113321588
N-(4-acetamidophenyl)-N,3-dimethylbutanamide
CID 113094936
5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid
CID 115490832
5-[methyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 104638770

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(3-methylbutanoyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[methyl(3-methylbutanoyl)amino]pyridine-2-carboxylic acid (CID 115268096) is 5-[methyl(3-methylbutanoyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[methyl(3-methylbutanoyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[methyl(3-methylbutanoyl)amino]pyridine-2-carboxylic acid is CC(C)CC(=O)N(C)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[methyl(3-methylbutanoyl)amino]pyridine-2-carboxylic acid?
The InChIKey is YJPBBDIICFIGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(2)6-11(15)14(3)9-4-5-10(12(16)17)13-7-9/h4-5,7-8H,6H2,1-3H3,(H,16,17).
What are the key properties of 5-[methyl(3-methylbutanoyl)amino]pyridine-2-carboxylic acid?
5-[methyl(3-methylbutanoyl)amino]pyridine-2-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(3-methylbutanoyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 115268096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).