6-fluoro-1-(2-methylpropyl)-3-(propan-2-ylamino)pyridin-2-one

C12H19FN2O — CID 153486265

IUPAC6-fluoro-1-(2-methylpropyl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Cn1c(F)ccc(NC(C)C)c1=O
InChIInChI=1S/C12H19FN2O/c1-8(2)7-15-11(13)6-5-10(12(15)16)14-9(3)4/h5-6,8-9,14H,7H2,1-4H3
InChIKeyGNRNWXQSYZVMIX-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.46
Rot. Bonds4

About 6-fluoro-1-(2-methylpropyl)-3-(propan-2-ylamino)pyridin-2-one

6-fluoro-1-(2-methylpropyl)-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 153486265) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 6-fluoro-1-(2-methylpropyl)-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name6-fluoro-1-(2-methylpropyl)-3-(propan-2-ylamino)pyridin-2-one
PubChem CID153486265
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name6-fluoro-1-(2-methylpropyl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Cn1c(F)ccc(NC(C)C)c1=O
InChIInChI=1S/C12H19FN2O/c1-8(2)7-15-11(13)6-5-10(12(15)16)14-9(3)4/h5-6,8-9,14H,7H2,1-4H3
InChIKeyGNRNWXQSYZVMIX-UHFFFAOYSA-N
XLogP2.46
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(2-methylpropyl)-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 6-fluoro-1-(2-methylpropyl)-3-(propan-2-ylamino)pyridin-2-one (CID 153486265) is 6-fluoro-1-(2-methylpropyl)-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 6-fluoro-1-(2-methylpropyl)-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 6-fluoro-1-(2-methylpropyl)-3-(propan-2-ylamino)pyridin-2-one is CC(C)Cn1c(F)ccc(NC(C)C)c1=O.
What is the InChIKey of 6-fluoro-1-(2-methylpropyl)-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is GNRNWXQSYZVMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-8(2)7-15-11(13)6-5-10(12(15)16)14-9(3)4/h5-6,8-9,14H,7H2,1-4H3.
What are the key properties of 6-fluoro-1-(2-methylpropyl)-3-(propan-2-ylamino)pyridin-2-one?
6-fluoro-1-(2-methylpropyl)-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 226.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(2-methylpropyl)-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 153486265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).