N,N'-diamino-4-[3-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-2-yl]benzenecarboximidamide

C18H16FN5O2 — CID 144589656

IUPACN,N'-diamino-4-[3-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-2-yl]benzenecarboximidamide
SMILESN/N=C(\NN)c1ccc(-c2[nH]c(=O)c(O)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H16FN5O2/c19-13-7-5-10(6-8-13)14-9-15(25)18(26)22-16(14)11-1-3-12(4-2-11)17(23-20)24-21/h1-9,25H,20-21H2,(H,22,26)(H,23,24)
InChIKeyBJHYBAMXJZDLQX-UHFFFAOYSA-N
MW353.36 g/mol
LogP1.64
Rot. Bonds3

About N,N'-diamino-4-[3-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-2-yl]benzenecarboximidamide

N,N'-diamino-4-[3-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-2-yl]benzenecarboximidamide (PubChem CID 144589656) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is N,N'-diamino-4-[3-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-2-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN,N'-diamino-4-[3-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-2-yl]benzenecarboximidamide
PubChem CID144589656
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC NameN,N'-diamino-4-[3-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-2-yl]benzenecarboximidamide
SMILESN/N=C(\NN)c1ccc(-c2[nH]c(=O)c(O)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H16FN5O2/c19-13-7-5-10(6-8-13)14-9-15(25)18(26)22-16(14)11-1-3-12(4-2-11)17(23-20)24-21/h1-9,25H,20-21H2,(H,22,26)(H,23,24)
InChIKeyBJHYBAMXJZDLQX-UHFFFAOYSA-N
XLogP1.64
TPSA129.52 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 51.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-4-[3-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-2-yl]benzenecarboximidamide?
The IUPAC name of N,N'-diamino-4-[3-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-2-yl]benzenecarboximidamide (CID 144589656) is N,N'-diamino-4-[3-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-2-yl]benzenecarboximidamide.
What is the SMILES notation for N,N'-diamino-4-[3-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-2-yl]benzenecarboximidamide?
The canonical SMILES for N,N'-diamino-4-[3-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-2-yl]benzenecarboximidamide is N/N=C(\NN)c1ccc(-c2[nH]c(=O)c(O)cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of N,N'-diamino-4-[3-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-2-yl]benzenecarboximidamide?
The InChIKey is BJHYBAMXJZDLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c19-13-7-5-10(6-8-13)14-9-15(25)18(26)22-16(14)11-1-3-12(4-2-11)17(23-20)24-21/h1-9,25H,20-21H2,(H,22,26)(H,23,24).
What are the key properties of N,N'-diamino-4-[3-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-2-yl]benzenecarboximidamide?
N,N'-diamino-4-[3-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-2-yl]benzenecarboximidamide has a molecular weight of 353.36 g/mol, XLogP of 1.64, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-4-[3-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyridin-2-yl]benzenecarboximidamide is sourced from PubChem (CID 144589656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).