4-methanimidoyl-5-(methylamino)-1H-pyridin-2-one

C7H9N3O — CID 137400069

IUPAC4-methanimidoyl-5-(methylamino)-1H-pyridin-2-one
SMILES[H]/N=C/c1cc(=O)[nH]cc1NC
InChIInChI=1S/C7H9N3O/c1-9-6-4-10-7(11)2-5(6)3-8/h2-4,8-9H,1H3,(H,10,11)/b8-3+
InChIKeyCDBSHGDLUUXKTE-FPYGCLRLSA-N
MW151.17 g/mol
LogP0.41
Rot. Bonds2

About 4-methanimidoyl-5-(methylamino)-1H-pyridin-2-one

4-methanimidoyl-5-(methylamino)-1H-pyridin-2-one (PubChem CID 137400069) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 4-methanimidoyl-5-(methylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methanimidoyl-5-(methylamino)-1H-pyridin-2-one
PubChem CID137400069
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name4-methanimidoyl-5-(methylamino)-1H-pyridin-2-one
SMILES[H]/N=C/c1cc(=O)[nH]cc1NC
InChIInChI=1S/C7H9N3O/c1-9-6-4-10-7(11)2-5(6)3-8/h2-4,8-9H,1H3,(H,10,11)/b8-3+
InChIKeyCDBSHGDLUUXKTE-FPYGCLRLSA-N
XLogP0.41
TPSA68.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methanimidoyl-5-(methylamino)-1H-pyridin-2-one?
The IUPAC name of 4-methanimidoyl-5-(methylamino)-1H-pyridin-2-one (CID 137400069) is 4-methanimidoyl-5-(methylamino)-1H-pyridin-2-one.
What is the SMILES notation for 4-methanimidoyl-5-(methylamino)-1H-pyridin-2-one?
The canonical SMILES for 4-methanimidoyl-5-(methylamino)-1H-pyridin-2-one is [H]/N=C/c1cc(=O)[nH]cc1NC.
What is the InChIKey of 4-methanimidoyl-5-(methylamino)-1H-pyridin-2-one?
The InChIKey is CDBSHGDLUUXKTE-FPYGCLRLSA-N. The full InChI is InChI=1S/C7H9N3O/c1-9-6-4-10-7(11)2-5(6)3-8/h2-4,8-9H,1H3,(H,10,11)/b8-3+.
What are the key properties of 4-methanimidoyl-5-(methylamino)-1H-pyridin-2-one?
4-methanimidoyl-5-(methylamino)-1H-pyridin-2-one has a molecular weight of 151.17 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanimidoyl-5-(methylamino)-1H-pyridin-2-one is sourced from PubChem (CID 137400069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).