3-amino-1-[(2,4,6-trimethylphenyl)methyl]pyridin-4-one

C15H18N2O — CID 82992302

IUPAC3-amino-1-[(2,4,6-trimethylphenyl)methyl]pyridin-4-one
SMILESCc1cc(C)c(Cn2ccc(=O)c(N)c2)c(C)c1
InChIInChI=1S/C15H18N2O/c1-10-6-11(2)13(12(3)7-10)8-17-5-4-15(18)14(16)9-17/h4-7,9H,8,16H2,1-3H3
InChIKeyXZTYGXXTEQSSMN-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.40
Rot. Bonds2

About 3-amino-1-[(2,4,6-trimethylphenyl)methyl]pyridin-4-one

3-amino-1-[(2,4,6-trimethylphenyl)methyl]pyridin-4-one (PubChem CID 82992302) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-amino-1-[(2,4,6-trimethylphenyl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-[(2,4,6-trimethylphenyl)methyl]pyridin-4-one
PubChem CID82992302
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-amino-1-[(2,4,6-trimethylphenyl)methyl]pyridin-4-one
SMILESCc1cc(C)c(Cn2ccc(=O)c(N)c2)c(C)c1
InChIInChI=1S/C15H18N2O/c1-10-6-11(2)13(12(3)7-10)8-17-5-4-15(18)14(16)9-17/h4-7,9H,8,16H2,1-3H3
InChIKeyXZTYGXXTEQSSMN-UHFFFAOYSA-N
XLogP2.40
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2,4,6-trimethylphenyl)methyl]pyridin-4-one?
The IUPAC name of 3-amino-1-[(2,4,6-trimethylphenyl)methyl]pyridin-4-one (CID 82992302) is 3-amino-1-[(2,4,6-trimethylphenyl)methyl]pyridin-4-one.
What is the SMILES notation for 3-amino-1-[(2,4,6-trimethylphenyl)methyl]pyridin-4-one?
The canonical SMILES for 3-amino-1-[(2,4,6-trimethylphenyl)methyl]pyridin-4-one is Cc1cc(C)c(Cn2ccc(=O)c(N)c2)c(C)c1.
What is the InChIKey of 3-amino-1-[(2,4,6-trimethylphenyl)methyl]pyridin-4-one?
The InChIKey is XZTYGXXTEQSSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-6-11(2)13(12(3)7-10)8-17-5-4-15(18)14(16)9-17/h4-7,9H,8,16H2,1-3H3.
What are the key properties of 3-amino-1-[(2,4,6-trimethylphenyl)methyl]pyridin-4-one?
3-amino-1-[(2,4,6-trimethylphenyl)methyl]pyridin-4-one has a molecular weight of 242.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2,4,6-trimethylphenyl)methyl]pyridin-4-one is sourced from PubChem (CID 82992302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).