4-(dibenzylamino)-1-pyridin-3-ylbutan-1-one

C23H24N2O — CID 166171937

IUPAC4-(dibenzylamino)-1-pyridin-3-ylbutan-1-one
SMILESO=C(CCCN(Cc1ccccc1)Cc1ccccc1)c1cccnc1
InChIInChI=1S/C23H24N2O/c26-23(22-13-7-15-24-17-22)14-8-16-25(18-20-9-3-1-4-10-20)19-21-11-5-2-6-12-21/h1-7,9-13,15,17H,8,14,16,18-19H2
InChIKeyXIOKMKUVXCNGNB-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.75
Rot. Bonds9

About 4-(dibenzylamino)-1-pyridin-3-ylbutan-1-one

4-(dibenzylamino)-1-pyridin-3-ylbutan-1-one (PubChem CID 166171937) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-(dibenzylamino)-1-pyridin-3-ylbutan-1-one.

Molecular Properties

Compound Name4-(dibenzylamino)-1-pyridin-3-ylbutan-1-one
PubChem CID166171937
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name4-(dibenzylamino)-1-pyridin-3-ylbutan-1-one
SMILESO=C(CCCN(Cc1ccccc1)Cc1ccccc1)c1cccnc1
InChIInChI=1S/C23H24N2O/c26-23(22-13-7-15-24-17-22)14-8-16-25(18-20-9-3-1-4-10-20)19-21-11-5-2-6-12-21/h1-7,9-13,15,17H,8,14,16,18-19H2
InChIKeyXIOKMKUVXCNGNB-UHFFFAOYSA-N
XLogP4.75
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-3-ylpentan-1-one
CID 12648543
4-[methyl-(methylideneamino)amino]-1-pyridin-3-ylbutan-1-one
CID 134334847
3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one
CID 135021147
3-[(4-fluorophenyl)methyl-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82327660
1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one
CID 60692668
1-pyridin-3-ylundecan-1-one
CID 19756112
N-benzylpyridine-3-carbohydrazide;hydrochloride
CID 173445045
4-[[2-phenylethyl(pyridin-3-ylmethyl)amino]methyl]benzamide
CID 91784965
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine
CID 63389648
7,7-dimethyl-1-pyridin-3-yloctane-1,6-dione
CID 157216244
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487

Frequently Asked Questions

What is the IUPAC name of 4-(dibenzylamino)-1-pyridin-3-ylbutan-1-one?
The IUPAC name of 4-(dibenzylamino)-1-pyridin-3-ylbutan-1-one (CID 166171937) is 4-(dibenzylamino)-1-pyridin-3-ylbutan-1-one.
What is the SMILES notation for 4-(dibenzylamino)-1-pyridin-3-ylbutan-1-one?
The canonical SMILES for 4-(dibenzylamino)-1-pyridin-3-ylbutan-1-one is O=C(CCCN(Cc1ccccc1)Cc1ccccc1)c1cccnc1.
What is the InChIKey of 4-(dibenzylamino)-1-pyridin-3-ylbutan-1-one?
The InChIKey is XIOKMKUVXCNGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c26-23(22-13-7-15-24-17-22)14-8-16-25(18-20-9-3-1-4-10-20)19-21-11-5-2-6-12-21/h1-7,9-13,15,17H,8,14,16,18-19H2.
What are the key properties of 4-(dibenzylamino)-1-pyridin-3-ylbutan-1-one?
4-(dibenzylamino)-1-pyridin-3-ylbutan-1-one has a molecular weight of 344.46 g/mol, XLogP of 4.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibenzylamino)-1-pyridin-3-ylbutan-1-one is sourced from PubChem (CID 166171937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).