3-amino-1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one

C15H18N2O — CID 55035658

IUPAC3-amino-1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one
SMILESCC(C)c1ccc(Cn2cccc(N)c2=O)cc1
InChIInChI=1S/C15H18N2O/c1-11(2)13-7-5-12(6-8-13)10-17-9-3-4-14(16)15(17)18/h3-9,11H,10,16H2,1-2H3
InChIKeyNDBWZFOSYYSOFR-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.60
Rot. Bonds3

About 3-amino-1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one

3-amino-1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one (PubChem CID 55035658) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-amino-1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one
PubChem CID55035658
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-amino-1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one
SMILESCC(C)c1ccc(Cn2cccc(N)c2=O)cc1
InChIInChI=1S/C15H18N2O/c1-11(2)13-7-5-12(6-8-13)10-17-9-3-4-14(16)15(17)18/h3-9,11H,10,16H2,1-2H3
InChIKeyNDBWZFOSYYSOFR-UHFFFAOYSA-N
XLogP2.60
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one (CID 55035658) is 3-amino-1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one is CC(C)c1ccc(Cn2cccc(N)c2=O)cc1.
What is the InChIKey of 3-amino-1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one?
The InChIKey is NDBWZFOSYYSOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11(2)13-7-5-12(6-8-13)10-17-9-3-4-14(16)15(17)18/h3-9,11H,10,16H2,1-2H3.
What are the key properties of 3-amino-1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one?
3-amino-1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one has a molecular weight of 242.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 55035658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).