2-(cyclobutylamino)-6-(2,6-difluorophenyl)-3-ethanimidoyl-5-hydroxy-1H-pyridin-4-one

C17H17F2N3O2 — CID 142466656

IUPAC2-(cyclobutylamino)-6-(2,6-difluorophenyl)-3-ethanimidoyl-5-hydroxy-1H-pyridin-4-one
SMILES[H]/N=C(\C)c1c(NC2CCC2)[nH]c(-c2c(F)cccc2F)c(O)c1=O
InChIInChI=1S/C17H17F2N3O2/c1-8(20)12-15(23)16(24)14(13-10(18)6-3-7-11(13)19)22-17(12)21-9-4-2-5-9/h3,6-7,9,20,24H,2,4-5H2,1H3,(H2,21,22,23)/b20-8+
InChIKeyIWEFIHXGWGZBBD-DNTJNYDQSA-N
MW333.34 g/mol
LogP3.38
Rot. Bonds4

About 2-(cyclobutylamino)-6-(2,6-difluorophenyl)-3-ethanimidoyl-5-hydroxy-1H-pyridin-4-one

2-(cyclobutylamino)-6-(2,6-difluorophenyl)-3-ethanimidoyl-5-hydroxy-1H-pyridin-4-one (PubChem CID 142466656) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-(cyclobutylamino)-6-(2,6-difluorophenyl)-3-ethanimidoyl-5-hydroxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(cyclobutylamino)-6-(2,6-difluorophenyl)-3-ethanimidoyl-5-hydroxy-1H-pyridin-4-one
PubChem CID142466656
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name2-(cyclobutylamino)-6-(2,6-difluorophenyl)-3-ethanimidoyl-5-hydroxy-1H-pyridin-4-one
SMILES[H]/N=C(\C)c1c(NC2CCC2)[nH]c(-c2c(F)cccc2F)c(O)c1=O
InChIInChI=1S/C17H17F2N3O2/c1-8(20)12-15(23)16(24)14(13-10(18)6-3-7-11(13)19)22-17(12)21-9-4-2-5-9/h3,6-7,9,20,24H,2,4-5H2,1H3,(H2,21,22,23)/b20-8+
InChIKeyIWEFIHXGWGZBBD-DNTJNYDQSA-N
XLogP3.38
TPSA88.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 2-(cyclobutylamino)-6-(2,6-difluorophenyl)-3-ethanimidoyl-5-hydroxy-1H-pyridin-4-one?
The IUPAC name of 2-(cyclobutylamino)-6-(2,6-difluorophenyl)-3-ethanimidoyl-5-hydroxy-1H-pyridin-4-one (CID 142466656) is 2-(cyclobutylamino)-6-(2,6-difluorophenyl)-3-ethanimidoyl-5-hydroxy-1H-pyridin-4-one.
What is the SMILES notation for 2-(cyclobutylamino)-6-(2,6-difluorophenyl)-3-ethanimidoyl-5-hydroxy-1H-pyridin-4-one?
The canonical SMILES for 2-(cyclobutylamino)-6-(2,6-difluorophenyl)-3-ethanimidoyl-5-hydroxy-1H-pyridin-4-one is [H]/N=C(\C)c1c(NC2CCC2)[nH]c(-c2c(F)cccc2F)c(O)c1=O.
What is the InChIKey of 2-(cyclobutylamino)-6-(2,6-difluorophenyl)-3-ethanimidoyl-5-hydroxy-1H-pyridin-4-one?
The InChIKey is IWEFIHXGWGZBBD-DNTJNYDQSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-8(20)12-15(23)16(24)14(13-10(18)6-3-7-11(13)19)22-17(12)21-9-4-2-5-9/h3,6-7,9,20,24H,2,4-5H2,1H3,(H2,21,22,23)/b20-8+.
What are the key properties of 2-(cyclobutylamino)-6-(2,6-difluorophenyl)-3-ethanimidoyl-5-hydroxy-1H-pyridin-4-one?
2-(cyclobutylamino)-6-(2,6-difluorophenyl)-3-ethanimidoyl-5-hydroxy-1H-pyridin-4-one has a molecular weight of 333.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-6-(2,6-difluorophenyl)-3-ethanimidoyl-5-hydroxy-1H-pyridin-4-one is sourced from PubChem (CID 142466656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).