3-[(2-hydroxy-3-phenylpropyl)amino]-1-pyridin-4-ylpropan-1-one

C17H20N2O2 — CID 70927004

IUPAC3-[(2-hydroxy-3-phenylpropyl)amino]-1-pyridin-4-ylpropan-1-one
SMILESO=C(CCNCC(O)Cc1ccccc1)c1ccncc1
InChIInChI=1S/C17H20N2O2/c20-16(12-14-4-2-1-3-5-14)13-19-11-8-17(21)15-6-9-18-10-7-15/h1-7,9-10,16,19-20H,8,11-13H2
InChIKeyAALLSNVEHKZFCX-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.85
Rot. Bonds8

About 3-[(2-hydroxy-3-phenylpropyl)amino]-1-pyridin-4-ylpropan-1-one

3-[(2-hydroxy-3-phenylpropyl)amino]-1-pyridin-4-ylpropan-1-one (PubChem CID 70927004) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-phenylpropyl)amino]-1-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(2-hydroxy-3-phenylpropyl)amino]-1-pyridin-4-ylpropan-1-one
PubChem CID70927004
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-[(2-hydroxy-3-phenylpropyl)amino]-1-pyridin-4-ylpropan-1-one
SMILESO=C(CCNCC(O)Cc1ccccc1)c1ccncc1
InChIInChI=1S/C17H20N2O2/c20-16(12-14-4-2-1-3-5-14)13-19-11-8-17(21)15-6-9-18-10-7-15/h1-7,9-10,16,19-20H,8,11-13H2
InChIKeyAALLSNVEHKZFCX-UHFFFAOYSA-N
XLogP1.85
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pyridin-4-ylmethyl 3-hydroxy-4-phenylbutanoate
CID 154617676
4-hydroxy-5-(2-pyridin-4-ylethylamino)pentanoic acid
CID 115122785
[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110884353
1-(4-bromophenyl)-3-[(2-hydroxy-2-phenylethyl)amino]propan-1-one
CID 110177571
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
N-(2,5-difluorophenyl)-3-[(2-hydroxy-3-phenylpropyl)amino]propanamide
CID 50960253
3-[(2-butylphenyl)methylamino]-1-pyridin-4-ylpropan-1-one
CID 70926509
N-[(2S,8S)-3,7-dioxo-1,9-diphenyl-8-(pyridine-4-carbonylamino)nonan-2-yl]pyridine-4-carboxamide
CID 58426253
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
N-(2-hydroxy-3-phenylpropyl)pyrazine-2-carboxamide
CID 90534299
3-(2-chloroethylamino)-1-phenylpropan-1-one
CID 2047021
N-[(2R)-2-hydroxy-3-phenylpropyl]-2-thiophen-2-ylacetamide
CID 95379088

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-phenylpropyl)amino]-1-pyridin-4-ylpropan-1-one?
The IUPAC name of 3-[(2-hydroxy-3-phenylpropyl)amino]-1-pyridin-4-ylpropan-1-one (CID 70927004) is 3-[(2-hydroxy-3-phenylpropyl)amino]-1-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(2-hydroxy-3-phenylpropyl)amino]-1-pyridin-4-ylpropan-1-one?
The canonical SMILES for 3-[(2-hydroxy-3-phenylpropyl)amino]-1-pyridin-4-ylpropan-1-one is O=C(CCNCC(O)Cc1ccccc1)c1ccncc1.
What is the InChIKey of 3-[(2-hydroxy-3-phenylpropyl)amino]-1-pyridin-4-ylpropan-1-one?
The InChIKey is AALLSNVEHKZFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-16(12-14-4-2-1-3-5-14)13-19-11-8-17(21)15-6-9-18-10-7-15/h1-7,9-10,16,19-20H,8,11-13H2.
What are the key properties of 3-[(2-hydroxy-3-phenylpropyl)amino]-1-pyridin-4-ylpropan-1-one?
3-[(2-hydroxy-3-phenylpropyl)amino]-1-pyridin-4-ylpropan-1-one has a molecular weight of 284.36 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-3-phenylpropyl)amino]-1-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 70927004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).