3-[benzyl(tert-butyl)amino]-1-pyridin-3-ylpropan-1-one

C19H24N2O — CID 46231733

IUPAC3-[benzyl(tert-butyl)amino]-1-pyridin-3-ylpropan-1-one
SMILESCC(C)(C)N(CCC(=O)c1cccnc1)Cc1ccccc1
InChIInChI=1S/C19H24N2O/c1-19(2,3)21(15-16-8-5-4-6-9-16)13-11-18(22)17-10-7-12-20-14-17/h4-10,12,14H,11,13,15H2,1-3H3
InChIKeyGRBTUULUACRBQX-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.96
Rot. Bonds6

About 3-[benzyl(tert-butyl)amino]-1-pyridin-3-ylpropan-1-one

3-[benzyl(tert-butyl)amino]-1-pyridin-3-ylpropan-1-one (PubChem CID 46231733) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[benzyl(tert-butyl)amino]-1-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name3-[benzyl(tert-butyl)amino]-1-pyridin-3-ylpropan-1-one
PubChem CID46231733
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-[benzyl(tert-butyl)amino]-1-pyridin-3-ylpropan-1-one
SMILESCC(C)(C)N(CCC(=O)c1cccnc1)Cc1ccccc1
InChIInChI=1S/C19H24N2O/c1-19(2,3)21(15-16-8-5-4-6-9-16)13-11-18(22)17-10-7-12-20-14-17/h4-10,12,14H,11,13,15H2,1-3H3
InChIKeyGRBTUULUACRBQX-UHFFFAOYSA-N
XLogP3.96
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(tert-butyl)amino]-1-pyridin-3-ylpropan-1-one?
The IUPAC name of 3-[benzyl(tert-butyl)amino]-1-pyridin-3-ylpropan-1-one (CID 46231733) is 3-[benzyl(tert-butyl)amino]-1-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 3-[benzyl(tert-butyl)amino]-1-pyridin-3-ylpropan-1-one?
The canonical SMILES for 3-[benzyl(tert-butyl)amino]-1-pyridin-3-ylpropan-1-one is CC(C)(C)N(CCC(=O)c1cccnc1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(tert-butyl)amino]-1-pyridin-3-ylpropan-1-one?
The InChIKey is GRBTUULUACRBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-19(2,3)21(15-16-8-5-4-6-9-16)13-11-18(22)17-10-7-12-20-14-17/h4-10,12,14H,11,13,15H2,1-3H3.
What are the key properties of 3-[benzyl(tert-butyl)amino]-1-pyridin-3-ylpropan-1-one?
3-[benzyl(tert-butyl)amino]-1-pyridin-3-ylpropan-1-one has a molecular weight of 296.41 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(tert-butyl)amino]-1-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 46231733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).