[4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl] hypofluorite

C17H18FN3O2 — CID 136997319

IUPAC[4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl] hypofluorite
SMILES[H]/N=C(\c1ccc(OF)cc1)c1c(NC2CCCC2)cc[nH]c1=O
InChIInChI=1S/C17H18FN3O2/c18-23-13-7-5-11(6-8-13)16(19)15-14(9-10-20-17(15)22)21-12-3-1-2-4-12/h5-10,12,19H,1-4H2,(H2,20,21,22)/b19-16+
InChIKeyVZPRIDBMYFQMAS-KNTRCKAVSA-N
MW315.35 g/mol
LogP3.41
Rot. Bonds5

About [4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl] hypofluorite

[4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl] hypofluorite (PubChem CID 136997319) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is [4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl] hypofluorite.

Molecular Properties

Compound Name[4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl] hypofluorite
PubChem CID136997319
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name[4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl] hypofluorite
SMILES[H]/N=C(\c1ccc(OF)cc1)c1c(NC2CCCC2)cc[nH]c1=O
InChIInChI=1S/C17H18FN3O2/c18-23-13-7-5-11(6-8-13)16(19)15-14(9-10-20-17(15)22)21-12-3-1-2-4-12/h5-10,12,19H,1-4H2,(H2,20,21,22)/b19-16+
InChIKeyVZPRIDBMYFQMAS-KNTRCKAVSA-N
XLogP3.41
TPSA77.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.41
H-Bond Donors ≤ 53
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 [4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl] hypofluorite?
The IUPAC name of [4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl] hypofluorite (CID 136997319) is [4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl] hypofluorite.
What is the SMILES notation for [4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl] hypofluorite?
The canonical SMILES for [4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl] hypofluorite is [H]/N=C(\c1ccc(OF)cc1)c1c(NC2CCCC2)cc[nH]c1=O.
What is the InChIKey of [4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl] hypofluorite?
The InChIKey is VZPRIDBMYFQMAS-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-23-13-7-5-11(6-8-13)16(19)15-14(9-10-20-17(15)22)21-12-3-1-2-4-12/h5-10,12,19H,1-4H2,(H2,20,21,22)/b19-16+.
What are the key properties of [4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl] hypofluorite?
[4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl] hypofluorite has a molecular weight of 315.35 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl] hypofluorite is sourced from PubChem (CID 136997319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).