1-methyl-4-[2-(methylamino)ethylamino]pyridin-2-one

C9H15N3O — CID 131075374

IUPAC1-methyl-4-[2-(methylamino)ethylamino]pyridin-2-one
SMILESCNCCNc1ccn(C)c(=O)c1
InChIInChI=1S/C9H15N3O/c1-10-4-5-11-8-3-6-12(2)9(13)7-8/h3,6-7,10-11H,4-5H2,1-2H3
InChIKeyATZNNKOQJMAHDW-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.02
Rot. Bonds4

About 1-methyl-4-[2-(methylamino)ethylamino]pyridin-2-one

1-methyl-4-[2-(methylamino)ethylamino]pyridin-2-one (PubChem CID 131075374) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-methyl-4-[2-(methylamino)ethylamino]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[2-(methylamino)ethylamino]pyridin-2-one
PubChem CID131075374
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-methyl-4-[2-(methylamino)ethylamino]pyridin-2-one
SMILESCNCCNc1ccn(C)c(=O)c1
InChIInChI=1S/C9H15N3O/c1-10-4-5-11-8-3-6-12(2)9(13)7-8/h3,6-7,10-11H,4-5H2,1-2H3
InChIKeyATZNNKOQJMAHDW-UHFFFAOYSA-N
XLogP0.02
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(methylamino)ethylamino]pyridin-2-one?
The IUPAC name of 1-methyl-4-[2-(methylamino)ethylamino]pyridin-2-one (CID 131075374) is 1-methyl-4-[2-(methylamino)ethylamino]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[2-(methylamino)ethylamino]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[2-(methylamino)ethylamino]pyridin-2-one is CNCCNc1ccn(C)c(=O)c1.
What is the InChIKey of 1-methyl-4-[2-(methylamino)ethylamino]pyridin-2-one?
The InChIKey is ATZNNKOQJMAHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-10-4-5-11-8-3-6-12(2)9(13)7-8/h3,6-7,10-11H,4-5H2,1-2H3.
What are the key properties of 1-methyl-4-[2-(methylamino)ethylamino]pyridin-2-one?
1-methyl-4-[2-(methylamino)ethylamino]pyridin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(methylamino)ethylamino]pyridin-2-one is sourced from PubChem (CID 131075374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).