1-[[6-(methylamino)-3-pyridinyl]methyl]pyridin-2-one

C12H13N3O — CID 62208669

IUPAC1-[[6-(methylamino)-3-pyridinyl]methyl]pyridin-2-one
SMILESCNc1ccc(Cn2ccccc2=O)cn1
InChIInChI=1S/C12H13N3O/c1-13-11-6-5-10(8-14-11)9-15-7-3-2-4-12(15)16/h2-8H,9H2,1H3,(H,13,14)
InChIKeyIZVRNXONBPRTPR-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.33
Rot. Bonds3

About 1-[[6-(methylamino)-3-pyridinyl]methyl]pyridin-2-one

1-[[6-(methylamino)-3-pyridinyl]methyl]pyridin-2-one (PubChem CID 62208669) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-[[6-(methylamino)-3-pyridinyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[6-(methylamino)-3-pyridinyl]methyl]pyridin-2-one
PubChem CID62208669
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-[[6-(methylamino)-3-pyridinyl]methyl]pyridin-2-one
SMILESCNc1ccc(Cn2ccccc2=O)cn1
InChIInChI=1S/C12H13N3O/c1-13-11-6-5-10(8-14-11)9-15-7-3-2-4-12(15)16/h2-8H,9H2,1H3,(H,13,14)
InChIKeyIZVRNXONBPRTPR-UHFFFAOYSA-N
XLogP1.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[6-(methylamino)-3-pyridinyl]methyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(methylamino)-3-pyridinyl]methyl]pyridin-2-one?
The IUPAC name of 1-[[6-(methylamino)-3-pyridinyl]methyl]pyridin-2-one (CID 62208669) is 1-[[6-(methylamino)-3-pyridinyl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[6-(methylamino)-3-pyridinyl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[6-(methylamino)-3-pyridinyl]methyl]pyridin-2-one is CNc1ccc(Cn2ccccc2=O)cn1.
What is the InChIKey of 1-[[6-(methylamino)-3-pyridinyl]methyl]pyridin-2-one?
The InChIKey is IZVRNXONBPRTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-13-11-6-5-10(8-14-11)9-15-7-3-2-4-12(15)16/h2-8H,9H2,1H3,(H,13,14).
What are the key properties of 1-[[6-(methylamino)-3-pyridinyl]methyl]pyridin-2-one?
1-[[6-(methylamino)-3-pyridinyl]methyl]pyridin-2-one has a molecular weight of 215.26 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(methylamino)-3-pyridinyl]methyl]pyridin-2-one is sourced from PubChem (CID 62208669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).