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

C12H17ClN4O2 — CID 119999095

IUPAC4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one;hydrochloride
SMILESCCC1C(=O)NCCN1C(=O)c1cccc(N)n1.Cl
InChIInChI=1S/C12H16N4O2.ClH/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);1H
InChIKeyQYXNCLSSZWPPCE-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.44
Rot. Bonds2

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

4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one;hydrochloride (PubChem CID 119999095) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one;hydrochloride
PubChem CID119999095
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one;hydrochloride
SMILESCCC1C(=O)NCCN1C(=O)c1cccc(N)n1.Cl
InChIInChI=1S/C12H16N4O2.ClH/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);1H
InChIKeyQYXNCLSSZWPPCE-UHFFFAOYSA-N
XLogP0.44
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one;hydrochloride?
The IUPAC name of 4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one;hydrochloride (CID 119999095) is 4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one;hydrochloride.
What is the SMILES notation for 4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one;hydrochloride?
The canonical SMILES for 4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one;hydrochloride is CCC1C(=O)NCCN1C(=O)c1cccc(N)n1.Cl.
What is the InChIKey of 4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one;hydrochloride?
The InChIKey is QYXNCLSSZWPPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2.ClH/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);1H.
What are the key properties of 4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one;hydrochloride?
4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one;hydrochloride has a molecular weight of 284.75 g/mol, XLogP of 0.44, 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;hydrochloride is sourced from PubChem (CID 119999095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).