4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one

C12H16N4O2 — CID 81241204

IUPAC4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one
SMILESCc1cc(N)c(C(=O)N2CCNC(=O)C2C)cn1
InChIInChI=1S/C12H16N4O2/c1-7-5-10(13)9(6-15-7)12(18)16-4-3-14-11(17)8(16)2/h5-6,8H,3-4H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyGUVOQQNOUYJVKV-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.07
Rot. Bonds1

About 4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one

4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one (PubChem CID 81241204) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one
PubChem CID81241204
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one
SMILESCc1cc(N)c(C(=O)N2CCNC(=O)C2C)cn1
InChIInChI=1S/C12H16N4O2/c1-7-5-10(13)9(6-15-7)12(18)16-4-3-14-11(17)8(16)2/h5-6,8H,3-4H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyGUVOQQNOUYJVKV-UHFFFAOYSA-N
XLogP-0.07
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-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-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one (CID 81241204) is 4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one is Cc1cc(N)c(C(=O)N2CCNC(=O)C2C)cn1.
What is the InChIKey of 4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one?
The InChIKey is GUVOQQNOUYJVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7-5-10(13)9(6-15-7)12(18)16-4-3-14-11(17)8(16)2/h5-6,8H,3-4H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of 4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one?
4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one has a molecular weight of 248.29 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 81241204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).