[2-(2-aminopropyl)-3-benzoyl-5-hydroxy-4-pyridinyl]-phenylmethanone

C22H20N2O3 — CID 23467138

IUPAC[2-(2-aminopropyl)-3-benzoyl-5-hydroxy-4-pyridinyl]-phenylmethanone
SMILESCC(N)Cc1ncc(O)c(C(=O)c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C22H20N2O3/c1-14(23)12-17-19(21(26)15-8-4-2-5-9-15)20(18(25)13-24-17)22(27)16-10-6-3-7-11-16/h2-11,13-14,25H,12,23H2,1H3
InChIKeyNNOZQYYUQUQMHY-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.14
Rot. Bonds6

About [2-(2-aminopropyl)-3-benzoyl-5-hydroxy-4-pyridinyl]-phenylmethanone

[2-(2-aminopropyl)-3-benzoyl-5-hydroxy-4-pyridinyl]-phenylmethanone (PubChem CID 23467138) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is [2-(2-aminopropyl)-3-benzoyl-5-hydroxy-4-pyridinyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2-aminopropyl)-3-benzoyl-5-hydroxy-4-pyridinyl]-phenylmethanone
PubChem CID23467138
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name[2-(2-aminopropyl)-3-benzoyl-5-hydroxy-4-pyridinyl]-phenylmethanone
SMILESCC(N)Cc1ncc(O)c(C(=O)c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C22H20N2O3/c1-14(23)12-17-19(21(26)15-8-4-2-5-9-15)20(18(25)13-24-17)22(27)16-10-6-3-7-11-16/h2-11,13-14,25H,12,23H2,1H3
InChIKeyNNOZQYYUQUQMHY-UHFFFAOYSA-N
XLogP3.14
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-aminopropyl)-3-benzoyl-5-hydroxy-4-pyridinyl]-phenylmethanone?
The IUPAC name of [2-(2-aminopropyl)-3-benzoyl-5-hydroxy-4-pyridinyl]-phenylmethanone (CID 23467138) is [2-(2-aminopropyl)-3-benzoyl-5-hydroxy-4-pyridinyl]-phenylmethanone.
What is the SMILES notation for [2-(2-aminopropyl)-3-benzoyl-5-hydroxy-4-pyridinyl]-phenylmethanone?
The canonical SMILES for [2-(2-aminopropyl)-3-benzoyl-5-hydroxy-4-pyridinyl]-phenylmethanone is CC(N)Cc1ncc(O)c(C(=O)c2ccccc2)c1C(=O)c1ccccc1.
What is the InChIKey of [2-(2-aminopropyl)-3-benzoyl-5-hydroxy-4-pyridinyl]-phenylmethanone?
The InChIKey is NNOZQYYUQUQMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-14(23)12-17-19(21(26)15-8-4-2-5-9-15)20(18(25)13-24-17)22(27)16-10-6-3-7-11-16/h2-11,13-14,25H,12,23H2,1H3.
What are the key properties of [2-(2-aminopropyl)-3-benzoyl-5-hydroxy-4-pyridinyl]-phenylmethanone?
[2-(2-aminopropyl)-3-benzoyl-5-hydroxy-4-pyridinyl]-phenylmethanone has a molecular weight of 360.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminopropyl)-3-benzoyl-5-hydroxy-4-pyridinyl]-phenylmethanone is sourced from PubChem (CID 23467138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).