4-(aminomethyl)-6-(4-methylphenyl)-1H-pyridin-2-one

C13H14N2O — CID 105467806

IUPAC4-(aminomethyl)-6-(4-methylphenyl)-1H-pyridin-2-one
SMILESCc1ccc(-c2cc(CN)cc(=O)[nH]2)cc1
InChIInChI=1S/C13H14N2O/c1-9-2-4-11(5-3-9)12-6-10(8-14)7-13(16)15-12/h2-7H,8,14H2,1H3,(H,15,16)
InChIKeyPXJQNBWEXZBAKT-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.81
Rot. Bonds2

About 4-(aminomethyl)-6-(4-methylphenyl)-1H-pyridin-2-one

4-(aminomethyl)-6-(4-methylphenyl)-1H-pyridin-2-one (PubChem CID 105467806) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(4-methylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-6-(4-methylphenyl)-1H-pyridin-2-one
PubChem CID105467806
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-(aminomethyl)-6-(4-methylphenyl)-1H-pyridin-2-one
SMILESCc1ccc(-c2cc(CN)cc(=O)[nH]2)cc1
InChIInChI=1S/C13H14N2O/c1-9-2-4-11(5-3-9)12-6-10(8-14)7-13(16)15-12/h2-7H,8,14H2,1H3,(H,15,16)
InChIKeyPXJQNBWEXZBAKT-UHFFFAOYSA-N
XLogP1.81
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-(4-methylphenyl)-1H-pyridin-2-one?
The IUPAC name of 4-(aminomethyl)-6-(4-methylphenyl)-1H-pyridin-2-one (CID 105467806) is 4-(aminomethyl)-6-(4-methylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(aminomethyl)-6-(4-methylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(aminomethyl)-6-(4-methylphenyl)-1H-pyridin-2-one is Cc1ccc(-c2cc(CN)cc(=O)[nH]2)cc1.
What is the InChIKey of 4-(aminomethyl)-6-(4-methylphenyl)-1H-pyridin-2-one?
The InChIKey is PXJQNBWEXZBAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-2-4-11(5-3-9)12-6-10(8-14)7-13(16)15-12/h2-7H,8,14H2,1H3,(H,15,16).
What are the key properties of 4-(aminomethyl)-6-(4-methylphenyl)-1H-pyridin-2-one?
4-(aminomethyl)-6-(4-methylphenyl)-1H-pyridin-2-one has a molecular weight of 214.27 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-(4-methylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 105467806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).