3-(methoxyamino)-1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)pyridin-2-one

C14H20N4O2 — CID 146640993

IUPAC3-(methoxyamino)-1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCONc1cc(-c2cnn(C)c2)cn(CC(C)C)c1=O
InChIInChI=1S/C14H20N4O2/c1-10(2)7-18-9-11(12-6-15-17(3)8-12)5-13(14(18)19)16-20-4/h5-6,8-10,16H,7H2,1-4H3
InChIKeyQZFOOEIFJQHWNM-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.88
Rot. Bonds5

About 3-(methoxyamino)-1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)pyridin-2-one

3-(methoxyamino)-1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)pyridin-2-one (PubChem CID 146640993) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(methoxyamino)-1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name3-(methoxyamino)-1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)pyridin-2-one
PubChem CID146640993
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-(methoxyamino)-1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCONc1cc(-c2cnn(C)c2)cn(CC(C)C)c1=O
InChIInChI=1S/C14H20N4O2/c1-10(2)7-18-9-11(12-6-15-17(3)8-12)5-13(14(18)19)16-20-4/h5-6,8-10,16H,7H2,1-4H3
InChIKeyQZFOOEIFJQHWNM-UHFFFAOYSA-N
XLogP1.88
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxyamino)-1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)pyridin-2-one?
The IUPAC name of 3-(methoxyamino)-1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)pyridin-2-one (CID 146640993) is 3-(methoxyamino)-1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)pyridin-2-one.
What is the SMILES notation for 3-(methoxyamino)-1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)pyridin-2-one?
The canonical SMILES for 3-(methoxyamino)-1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)pyridin-2-one is CONc1cc(-c2cnn(C)c2)cn(CC(C)C)c1=O.
What is the InChIKey of 3-(methoxyamino)-1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)pyridin-2-one?
The InChIKey is QZFOOEIFJQHWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(2)7-18-9-11(12-6-15-17(3)8-12)5-13(14(18)19)16-20-4/h5-6,8-10,16H,7H2,1-4H3.
What are the key properties of 3-(methoxyamino)-1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)pyridin-2-one?
3-(methoxyamino)-1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)pyridin-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxyamino)-1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)pyridin-2-one is sourced from PubChem (CID 146640993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).