4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one

C12H16N4O2 — CID 55218091

IUPAC4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cccc(N)n1
InChIInChI=1S/C12H16N4O2/c1-2-9-11(17)14-6-7-16(9)12(18)8-4-3-5-10(13)15-8/h3-5,9H,2,6-7H2,1H3,(H2,13,15)(H,14,17)
InChIKeyIBXZFCZYOIUVGN-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.01
Rot. Bonds2

About 4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one

4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one (PubChem CID 55218091) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
PubChem CID55218091
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cccc(N)n1
InChIInChI=1S/C12H16N4O2/c1-2-9-11(17)14-6-7-16(9)12(18)8-4-3-5-10(13)15-8/h3-5,9H,2,6-7H2,1H3,(H2,13,15)(H,14,17)
InChIKeyIBXZFCZYOIUVGN-UHFFFAOYSA-N
XLogP0.01
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one 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 4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one (CID 55218091) is 4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1C(=O)c1cccc(N)n1.
What is the InChIKey of 4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one?
The InChIKey is IBXZFCZYOIUVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-2-9-11(17)14-6-7-16(9)12(18)8-4-3-5-10(13)15-8/h3-5,9H,2,6-7H2,1H3,(H2,13,15)(H,14,17).
What are the key properties of 4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one?
4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one has a molecular weight of 248.29 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 55218091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).