4-(benzylamino)-5-methyl-1H-pyridin-2-one

C13H14N2O — CID 13295731

IUPAC4-(benzylamino)-5-methyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)cc1NCc1ccccc1
InChIInChI=1S/C13H14N2O/c1-10-8-15-13(16)7-12(10)14-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,14,15,16)
InChIKeyMCPLPLJFRYLICR-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.30
Rot. Bonds3

About 4-(benzylamino)-5-methyl-1H-pyridin-2-one

4-(benzylamino)-5-methyl-1H-pyridin-2-one (PubChem CID 13295731) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-(benzylamino)-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(benzylamino)-5-methyl-1H-pyridin-2-one
PubChem CID13295731
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-(benzylamino)-5-methyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)cc1NCc1ccccc1
InChIInChI=1S/C13H14N2O/c1-10-8-15-13(16)7-12(10)14-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,14,15,16)
InChIKeyMCPLPLJFRYLICR-UHFFFAOYSA-N
XLogP2.30
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-5-methyl-1H-pyridin-2-one?
The IUPAC name of 4-(benzylamino)-5-methyl-1H-pyridin-2-one (CID 13295731) is 4-(benzylamino)-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-(benzylamino)-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-(benzylamino)-5-methyl-1H-pyridin-2-one is Cc1c[nH]c(=O)cc1NCc1ccccc1.
What is the InChIKey of 4-(benzylamino)-5-methyl-1H-pyridin-2-one?
The InChIKey is MCPLPLJFRYLICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-8-15-13(16)7-12(10)14-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,14,15,16).
What are the key properties of 4-(benzylamino)-5-methyl-1H-pyridin-2-one?
4-(benzylamino)-5-methyl-1H-pyridin-2-one has a molecular weight of 214.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 13295731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).