6-[(2-amino-2-oxoethyl)-butylamino]-5-chloropyridine-3-carboxylic acid

C12H16ClN3O3 — CID 55003577

IUPAC6-[(2-amino-2-oxoethyl)-butylamino]-5-chloropyridine-3-carboxylic acid
SMILESCCCCN(CC(N)=O)c1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C12H16ClN3O3/c1-2-3-4-16(7-10(14)17)11-9(13)5-8(6-15-11)12(18)19/h5-6H,2-4,7H2,1H3,(H2,14,17)(H,18,19)
InChIKeyWXGCDSCLKVUJGN-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.52
Rot. Bonds7

About 6-[(2-amino-2-oxoethyl)-butylamino]-5-chloropyridine-3-carboxylic acid

6-[(2-amino-2-oxoethyl)-butylamino]-5-chloropyridine-3-carboxylic acid (PubChem CID 55003577) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 6-[(2-amino-2-oxoethyl)-butylamino]-5-chloropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-amino-2-oxoethyl)-butylamino]-5-chloropyridine-3-carboxylic acid
PubChem CID55003577
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name6-[(2-amino-2-oxoethyl)-butylamino]-5-chloropyridine-3-carboxylic acid
SMILESCCCCN(CC(N)=O)c1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C12H16ClN3O3/c1-2-3-4-16(7-10(14)17)11-9(13)5-8(6-15-11)12(18)19/h5-6H,2-4,7H2,1H3,(H2,14,17)(H,18,19)
InChIKeyWXGCDSCLKVUJGN-UHFFFAOYSA-N
XLogP1.52
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(2-amino-2-oxoethyl)-butylamino]-5-chloropyridine-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-[(2-amino-2-oxoethyl)-butylamino]-5-chloropyridine-3-carboxylic acid?
The IUPAC name of 6-[(2-amino-2-oxoethyl)-butylamino]-5-chloropyridine-3-carboxylic acid (CID 55003577) is 6-[(2-amino-2-oxoethyl)-butylamino]-5-chloropyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-amino-2-oxoethyl)-butylamino]-5-chloropyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2-amino-2-oxoethyl)-butylamino]-5-chloropyridine-3-carboxylic acid is CCCCN(CC(N)=O)c1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 6-[(2-amino-2-oxoethyl)-butylamino]-5-chloropyridine-3-carboxylic acid?
The InChIKey is WXGCDSCLKVUJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-2-3-4-16(7-10(14)17)11-9(13)5-8(6-15-11)12(18)19/h5-6H,2-4,7H2,1H3,(H2,14,17)(H,18,19).
What are the key properties of 6-[(2-amino-2-oxoethyl)-butylamino]-5-chloropyridine-3-carboxylic acid?
6-[(2-amino-2-oxoethyl)-butylamino]-5-chloropyridine-3-carboxylic acid has a molecular weight of 285.73 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-2-oxoethyl)-butylamino]-5-chloropyridine-3-carboxylic acid is sourced from PubChem (CID 55003577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).