3,5-diamino-4-hydroxy-1-(3-pyridin-2-ylphenyl)pentan-2-one

C16H19N3O2 — CID 91491784

IUPAC3,5-diamino-4-hydroxy-1-(3-pyridin-2-ylphenyl)pentan-2-one
SMILESNCC(O)C(N)C(=O)Cc1cccc(-c2ccccn2)c1
InChIInChI=1S/C16H19N3O2/c17-10-15(21)16(18)14(20)9-11-4-3-5-12(8-11)13-6-1-2-7-19-13/h1-8,15-16,21H,9-10,17-18H2
InChIKeyXEZSTWPZFZPICS-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.51
Rot. Bonds6

About 3,5-diamino-4-hydroxy-1-(3-pyridin-2-ylphenyl)pentan-2-one

3,5-diamino-4-hydroxy-1-(3-pyridin-2-ylphenyl)pentan-2-one (PubChem CID 91491784) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3,5-diamino-4-hydroxy-1-(3-pyridin-2-ylphenyl)pentan-2-one.

Molecular Properties

Compound Name3,5-diamino-4-hydroxy-1-(3-pyridin-2-ylphenyl)pentan-2-one
PubChem CID91491784
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3,5-diamino-4-hydroxy-1-(3-pyridin-2-ylphenyl)pentan-2-one
SMILESNCC(O)C(N)C(=O)Cc1cccc(-c2ccccn2)c1
InChIInChI=1S/C16H19N3O2/c17-10-15(21)16(18)14(20)9-11-4-3-5-12(8-11)13-6-1-2-7-19-13/h1-8,15-16,21H,9-10,17-18H2
InChIKeyXEZSTWPZFZPICS-UHFFFAOYSA-N
XLogP0.51
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-4-hydroxy-1-(3-pyridin-2-ylphenyl)pentan-2-one?
The IUPAC name of 3,5-diamino-4-hydroxy-1-(3-pyridin-2-ylphenyl)pentan-2-one (CID 91491784) is 3,5-diamino-4-hydroxy-1-(3-pyridin-2-ylphenyl)pentan-2-one.
What is the SMILES notation for 3,5-diamino-4-hydroxy-1-(3-pyridin-2-ylphenyl)pentan-2-one?
The canonical SMILES for 3,5-diamino-4-hydroxy-1-(3-pyridin-2-ylphenyl)pentan-2-one is NCC(O)C(N)C(=O)Cc1cccc(-c2ccccn2)c1.
What is the InChIKey of 3,5-diamino-4-hydroxy-1-(3-pyridin-2-ylphenyl)pentan-2-one?
The InChIKey is XEZSTWPZFZPICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-10-15(21)16(18)14(20)9-11-4-3-5-12(8-11)13-6-1-2-7-19-13/h1-8,15-16,21H,9-10,17-18H2.
What are the key properties of 3,5-diamino-4-hydroxy-1-(3-pyridin-2-ylphenyl)pentan-2-one?
3,5-diamino-4-hydroxy-1-(3-pyridin-2-ylphenyl)pentan-2-one has a molecular weight of 285.35 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-4-hydroxy-1-(3-pyridin-2-ylphenyl)pentan-2-one is sourced from PubChem (CID 91491784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).