5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid

C12H16N2O3 — CID 43414824

IUPAC5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCCCN(C)C(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H16N2O3/c1-3-4-7-14(2)11(15)9-5-6-10(12(16)17)13-8-9/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyRWUNENYEEDLZSF-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.65
Rot. Bonds5

About 5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid

5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 43414824) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID43414824
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCCCN(C)C(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H16N2O3/c1-3-4-7-14(2)11(15)9-5-6-10(12(16)17)13-8-9/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyRWUNENYEEDLZSF-UHFFFAOYSA-N
XLogP1.65
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[butyl(methyl)carbamoyl]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

Frequently Asked Questions

What is the IUPAC name of 5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid (CID 43414824) is 5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid is CCCCN(C)C(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is RWUNENYEEDLZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-4-7-14(2)11(15)9-5-6-10(12(16)17)13-8-9/h5-6,8H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid?
5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 43414824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).