6-[propanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid

C12H16N2O3 — CID 115268252

IUPAC6-[propanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid
SMILESCCC(=O)N(c1ccc(C(=O)O)cn1)C(C)C
InChIInChI=1S/C12H16N2O3/c1-4-11(15)14(8(2)3)10-6-5-9(7-13-10)12(16)17/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyBUZLZUAVWZCIFC-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.93
Rot. Bonds4

About 6-[propanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid

6-[propanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid (PubChem CID 115268252) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-[propanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[propanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid
PubChem CID115268252
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-[propanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid
SMILESCCC(=O)N(c1ccc(C(=O)O)cn1)C(C)C
InChIInChI=1S/C12H16N2O3/c1-4-11(15)14(8(2)3)10-6-5-9(7-13-10)12(16)17/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyBUZLZUAVWZCIFC-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[propanoyl(propan-2-yl)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

Frequently Asked Questions

What is the IUPAC name of 6-[propanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[propanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid (CID 115268252) is 6-[propanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[propanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[propanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid is CCC(=O)N(c1ccc(C(=O)O)cn1)C(C)C.
What is the InChIKey of 6-[propanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is BUZLZUAVWZCIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-4-11(15)14(8(2)3)10-6-5-9(7-13-10)12(16)17/h5-8H,4H2,1-3H3,(H,16,17).
What are the key properties of 6-[propanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid?
6-[propanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[propanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 115268252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).