1-[2-(diethylamino)-5-[3-(hydroxymethyl)-2-pyridinyl]phenyl]ethanone

C18H22N2O2 — CID 155050716

IUPAC1-[2-(diethylamino)-5-[3-(hydroxymethyl)-2-pyridinyl]phenyl]ethanone
SMILESCCN(CC)c1ccc(-c2ncccc2CO)cc1C(C)=O
InChIInChI=1S/C18H22N2O2/c1-4-20(5-2)17-9-8-14(11-16(17)13(3)22)18-15(12-21)7-6-10-19-18/h6-11,21H,4-5,12H2,1-3H3
InChIKeyQBQRMNZIOMQHFB-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.29
Rot. Bonds6

About 1-[2-(diethylamino)-5-[3-(hydroxymethyl)-2-pyridinyl]phenyl]ethanone

1-[2-(diethylamino)-5-[3-(hydroxymethyl)-2-pyridinyl]phenyl]ethanone (PubChem CID 155050716) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[2-(diethylamino)-5-[3-(hydroxymethyl)-2-pyridinyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(diethylamino)-5-[3-(hydroxymethyl)-2-pyridinyl]phenyl]ethanone
PubChem CID155050716
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[2-(diethylamino)-5-[3-(hydroxymethyl)-2-pyridinyl]phenyl]ethanone
SMILESCCN(CC)c1ccc(-c2ncccc2CO)cc1C(C)=O
InChIInChI=1S/C18H22N2O2/c1-4-20(5-2)17-9-8-14(11-16(17)13(3)22)18-15(12-21)7-6-10-19-18/h6-11,21H,4-5,12H2,1-3H3
InChIKeyQBQRMNZIOMQHFB-UHFFFAOYSA-N
XLogP3.29
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-5-[3-(hydroxymethyl)-2-pyridinyl]phenyl]ethanone?
The IUPAC name of 1-[2-(diethylamino)-5-[3-(hydroxymethyl)-2-pyridinyl]phenyl]ethanone (CID 155050716) is 1-[2-(diethylamino)-5-[3-(hydroxymethyl)-2-pyridinyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-(diethylamino)-5-[3-(hydroxymethyl)-2-pyridinyl]phenyl]ethanone?
The canonical SMILES for 1-[2-(diethylamino)-5-[3-(hydroxymethyl)-2-pyridinyl]phenyl]ethanone is CCN(CC)c1ccc(-c2ncccc2CO)cc1C(C)=O.
What is the InChIKey of 1-[2-(diethylamino)-5-[3-(hydroxymethyl)-2-pyridinyl]phenyl]ethanone?
The InChIKey is QBQRMNZIOMQHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-20(5-2)17-9-8-14(11-16(17)13(3)22)18-15(12-21)7-6-10-19-18/h6-11,21H,4-5,12H2,1-3H3.
What are the key properties of 1-[2-(diethylamino)-5-[3-(hydroxymethyl)-2-pyridinyl]phenyl]ethanone?
1-[2-(diethylamino)-5-[3-(hydroxymethyl)-2-pyridinyl]phenyl]ethanone has a molecular weight of 298.39 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-5-[3-(hydroxymethyl)-2-pyridinyl]phenyl]ethanone is sourced from PubChem (CID 155050716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).