3-(aminomethyl)-6-methyl-4-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one

C12H13N3O2 — CID 67468168

IUPAC3-(aminomethyl)-6-methyl-4-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one
SMILESCc1cc(-c2cc[nH]c(=O)c2)c(CN)c(=O)[nH]1
InChIInChI=1S/C12H13N3O2/c1-7-4-9(10(6-13)12(17)15-7)8-2-3-14-11(16)5-8/h2-5H,6,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyKSVTYANBNVOFCC-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.50
Rot. Bonds2

About 3-(aminomethyl)-6-methyl-4-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one

3-(aminomethyl)-6-methyl-4-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one (PubChem CID 67468168) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-(aminomethyl)-6-methyl-4-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-methyl-4-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one
PubChem CID67468168
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-(aminomethyl)-6-methyl-4-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one
SMILESCc1cc(-c2cc[nH]c(=O)c2)c(CN)c(=O)[nH]1
InChIInChI=1S/C12H13N3O2/c1-7-4-9(10(6-13)12(17)15-7)8-2-3-14-11(16)5-8/h2-5H,6,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyKSVTYANBNVOFCC-UHFFFAOYSA-N
XLogP0.50
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-methyl-4-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-methyl-4-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one (CID 67468168) is 3-(aminomethyl)-6-methyl-4-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-methyl-4-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-methyl-4-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one is Cc1cc(-c2cc[nH]c(=O)c2)c(CN)c(=O)[nH]1.
What is the InChIKey of 3-(aminomethyl)-6-methyl-4-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one?
The InChIKey is KSVTYANBNVOFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7-4-9(10(6-13)12(17)15-7)8-2-3-14-11(16)5-8/h2-5H,6,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 3-(aminomethyl)-6-methyl-4-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one?
3-(aminomethyl)-6-methyl-4-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one has a molecular weight of 231.25 g/mol, XLogP of 0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-methyl-4-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 67468168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).