(3-amino-2-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C16H18N4O2 — CID 58736480

IUPAC(3-amino-2-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESNc1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1O
InChIInChI=1S/C16H18N4O2/c17-13-5-3-4-12(15(13)21)16(22)20-10-8-19(9-11-20)14-6-1-2-7-18-14/h1-7,21H,8-11,17H2
InChIKeyAEYJGIJDMUPOMD-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.33
Rot. Bonds2

About (3-amino-2-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(3-amino-2-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 58736480) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (3-amino-2-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID58736480
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name(3-amino-2-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESNc1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1O
InChIInChI=1S/C16H18N4O2/c17-13-5-3-4-12(15(13)21)16(22)20-10-8-19(9-11-20)14-6-1-2-7-18-14/h1-7,21H,8-11,17H2
InChIKeyAEYJGIJDMUPOMD-UHFFFAOYSA-N
XLogP1.33
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-amino-2-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 58736480) is (3-amino-2-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-amino-2-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-amino-2-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is Nc1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1O.
What is the InChIKey of (3-amino-2-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is AEYJGIJDMUPOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c17-13-5-3-4-12(15(13)21)16(22)20-10-8-19(9-11-20)14-6-1-2-7-18-14/h1-7,21H,8-11,17H2.
What are the key properties of (3-amino-2-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(3-amino-2-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 298.35 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 58736480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).