4-(cyclohexylamino)-N'-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide

C20H24F2N4O2 — CID 137281911

IUPAC4-(cyclohexylamino)-N'-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
SMILESN/C(=N\c1ccc(C(O)C(F)F)cc1)c1c(NC2CCCCC2)cc[nH]c1=O
InChIInChI=1S/C20H24F2N4O2/c21-18(22)17(27)12-6-8-14(9-7-12)26-19(23)16-15(10-11-24-20(16)28)25-13-4-2-1-3-5-13/h6-11,13,17-18,27H,1-5H2,(H2,23,26)(H2,24,25,28)
InChIKeyUHIYPWSHUZPQDF-UHFFFAOYSA-N
MW390.43 g/mol
LogP3.45
Rot. Bonds6

About 4-(cyclohexylamino)-N'-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide

4-(cyclohexylamino)-N'-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide (PubChem CID 137281911) has the molecular formula C20H24F2N4O2 and a molecular weight of 390.43 g/mol. Its IUPAC name is 4-(cyclohexylamino)-N'-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-N'-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
PubChem CID137281911
Molecular FormulaC20H24F2N4O2
Molecular Weight390.43 g/mol
Exact Mass390.19
IUPAC Name4-(cyclohexylamino)-N'-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
SMILESN/C(=N\c1ccc(C(O)C(F)F)cc1)c1c(NC2CCCCC2)cc[nH]c1=O
InChIInChI=1S/C20H24F2N4O2/c21-18(22)17(27)12-6-8-14(9-7-12)26-19(23)16-15(10-11-24-20(16)28)25-13-4-2-1-3-5-13/h6-11,13,17-18,27H,1-5H2,(H2,23,26)(H2,24,25,28)
InChIKeyUHIYPWSHUZPQDF-UHFFFAOYSA-N
XLogP3.45
TPSA103.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-N'-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of 4-(cyclohexylamino)-N'-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide (CID 137281911) is 4-(cyclohexylamino)-N'-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for 4-(cyclohexylamino)-N'-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for 4-(cyclohexylamino)-N'-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide is N/C(=N\c1ccc(C(O)C(F)F)cc1)c1c(NC2CCCCC2)cc[nH]c1=O.
What is the InChIKey of 4-(cyclohexylamino)-N'-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is UHIYPWSHUZPQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O2/c21-18(22)17(27)12-6-8-14(9-7-12)26-19(23)16-15(10-11-24-20(16)28)25-13-4-2-1-3-5-13/h6-11,13,17-18,27H,1-5H2,(H2,23,26)(H2,24,25,28).
What are the key properties of 4-(cyclohexylamino)-N'-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
4-(cyclohexylamino)-N'-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 390.43 g/mol, XLogP of 3.45, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-N'-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 137281911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).