3-amino-4-benzyl-1H-pyridin-2-one

C12H12N2O — CID 102426993

IUPAC3-amino-4-benzyl-1H-pyridin-2-one
SMILESNc1c(Cc2ccccc2)cc[nH]c1=O
InChIInChI=1S/C12H12N2O/c13-11-10(6-7-14-12(11)15)8-9-4-2-1-3-5-9/h1-7H,8,13H2,(H,14,15)
InChIKeyCYLPWJFUVUQXCC-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.55
Rot. Bonds2

About 3-amino-4-benzyl-1H-pyridin-2-one

3-amino-4-benzyl-1H-pyridin-2-one (PubChem CID 102426993) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-amino-4-benzyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-4-benzyl-1H-pyridin-2-one
PubChem CID102426993
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-amino-4-benzyl-1H-pyridin-2-one
SMILESNc1c(Cc2ccccc2)cc[nH]c1=O
InChIInChI=1S/C12H12N2O/c13-11-10(6-7-14-12(11)15)8-9-4-2-1-3-5-9/h1-7H,8,13H2,(H,14,15)
InChIKeyCYLPWJFUVUQXCC-UHFFFAOYSA-N
XLogP1.55
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-benzyl-1H-pyridin-2-one?
The IUPAC name of 3-amino-4-benzyl-1H-pyridin-2-one (CID 102426993) is 3-amino-4-benzyl-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-4-benzyl-1H-pyridin-2-one?
The canonical SMILES for 3-amino-4-benzyl-1H-pyridin-2-one is Nc1c(Cc2ccccc2)cc[nH]c1=O.
What is the InChIKey of 3-amino-4-benzyl-1H-pyridin-2-one?
The InChIKey is CYLPWJFUVUQXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-11-10(6-7-14-12(11)15)8-9-4-2-1-3-5-9/h1-7H,8,13H2,(H,14,15).
What are the key properties of 3-amino-4-benzyl-1H-pyridin-2-one?
3-amino-4-benzyl-1H-pyridin-2-one has a molecular weight of 200.24 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-benzyl-1H-pyridin-2-one is sourced from PubChem (CID 102426993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).