3-[benzyl(propan-2-yl)amino]-1-pyridin-4-ylpropan-1-one

C18H22N2O — CID 46231811

IUPAC3-[benzyl(propan-2-yl)amino]-1-pyridin-4-ylpropan-1-one
SMILESCC(C)N(CCC(=O)c1ccncc1)Cc1ccccc1
InChIInChI=1S/C18H22N2O/c1-15(2)20(14-16-6-4-3-5-7-16)13-10-18(21)17-8-11-19-12-9-17/h3-9,11-12,15H,10,13-14H2,1-2H3
InChIKeyPENDZQJBZVSZAV-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.57
Rot. Bonds7

About 3-[benzyl(propan-2-yl)amino]-1-pyridin-4-ylpropan-1-one

3-[benzyl(propan-2-yl)amino]-1-pyridin-4-ylpropan-1-one (PubChem CID 46231811) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-1-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-1-pyridin-4-ylpropan-1-one
PubChem CID46231811
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-[benzyl(propan-2-yl)amino]-1-pyridin-4-ylpropan-1-one
SMILESCC(C)N(CCC(=O)c1ccncc1)Cc1ccccc1
InChIInChI=1S/C18H22N2O/c1-15(2)20(14-16-6-4-3-5-7-16)13-10-18(21)17-8-11-19-12-9-17/h3-9,11-12,15H,10,13-14H2,1-2H3
InChIKeyPENDZQJBZVSZAV-UHFFFAOYSA-N
XLogP3.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-pyridin-4-ylpropan-1-one?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-pyridin-4-ylpropan-1-one (CID 46231811) is 3-[benzyl(propan-2-yl)amino]-1-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-1-pyridin-4-ylpropan-1-one?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-1-pyridin-4-ylpropan-1-one is CC(C)N(CCC(=O)c1ccncc1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-1-pyridin-4-ylpropan-1-one?
The InChIKey is PENDZQJBZVSZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-15(2)20(14-16-6-4-3-5-7-16)13-10-18(21)17-8-11-19-12-9-17/h3-9,11-12,15H,10,13-14H2,1-2H3.
What are the key properties of 3-[benzyl(propan-2-yl)amino]-1-pyridin-4-ylpropan-1-one?
3-[benzyl(propan-2-yl)amino]-1-pyridin-4-ylpropan-1-one has a molecular weight of 282.39 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-1-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 46231811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).