6-(butan-2-ylamino)pyridine-3-carboxylic acid

C10H14N2O2 — CID 43187332

IUPAC6-(butan-2-ylamino)pyridine-3-carboxylic acid
SMILESCCC(C)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C10H14N2O2/c1-3-7(2)12-9-5-4-8(6-11-9)10(13)14/h4-7H,3H2,1-2H3,(H,11,12)(H,13,14)
InChIKeySEDZGJNHMFSFAG-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.99
Rot. Bonds4

About 6-(butan-2-ylamino)pyridine-3-carboxylic acid

6-(butan-2-ylamino)pyridine-3-carboxylic acid (PubChem CID 43187332) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 6-(butan-2-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(butan-2-ylamino)pyridine-3-carboxylic acid
PubChem CID43187332
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name6-(butan-2-ylamino)pyridine-3-carboxylic acid
SMILESCCC(C)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C10H14N2O2/c1-3-7(2)12-9-5-4-8(6-11-9)10(13)14/h4-7H,3H2,1-2H3,(H,11,12)(H,13,14)
InChIKeySEDZGJNHMFSFAG-UHFFFAOYSA-N
XLogP1.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(butan-2-ylamino)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-(butan-2-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(butan-2-ylamino)pyridine-3-carboxylic acid (CID 43187332) is 6-(butan-2-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(butan-2-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(butan-2-ylamino)pyridine-3-carboxylic acid is CCC(C)Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(butan-2-ylamino)pyridine-3-carboxylic acid?
The InChIKey is SEDZGJNHMFSFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-7(2)12-9-5-4-8(6-11-9)10(13)14/h4-7H,3H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 6-(butan-2-ylamino)pyridine-3-carboxylic acid?
6-(butan-2-ylamino)pyridine-3-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butan-2-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 43187332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).