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

C20H23F3N4O — CID 137152937

IUPAC4-(cyclohexylamino)-2-oxo-N'-[4-(2,2,2-trifluoroethyl)phenyl]-1H-pyridine-3-carboximidamide
SMILESN/C(=N\c1ccc(CC(F)(F)F)cc1)c1c(NC2CCCCC2)cc[nH]c1=O
InChIInChI=1S/C20H23F3N4O/c21-20(22,23)12-13-6-8-15(9-7-13)27-18(24)17-16(10-11-25-19(17)28)26-14-4-2-1-3-5-14/h6-11,14H,1-5,12H2,(H2,24,27)(H2,25,26,28)
InChIKeyGUCVMZWCCKNKRW-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.26
Rot. Bonds5

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

4-(cyclohexylamino)-2-oxo-N'-[4-(2,2,2-trifluoroethyl)phenyl]-1H-pyridine-3-carboximidamide (PubChem CID 137152937) has the molecular formula C20H23F3N4O and a molecular weight of 392.43 g/mol. Its IUPAC name is 4-(cyclohexylamino)-2-oxo-N'-[4-(2,2,2-trifluoroethyl)phenyl]-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-2-oxo-N'-[4-(2,2,2-trifluoroethyl)phenyl]-1H-pyridine-3-carboximidamide
PubChem CID137152937
Molecular FormulaC20H23F3N4O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC Name4-(cyclohexylamino)-2-oxo-N'-[4-(2,2,2-trifluoroethyl)phenyl]-1H-pyridine-3-carboximidamide
SMILESN/C(=N\c1ccc(CC(F)(F)F)cc1)c1c(NC2CCCCC2)cc[nH]c1=O
InChIInChI=1S/C20H23F3N4O/c21-20(22,23)12-13-6-8-15(9-7-13)27-18(24)17-16(10-11-25-19(17)28)26-14-4-2-1-3-5-14/h6-11,14H,1-5,12H2,(H2,24,27)(H2,25,26,28)
InChIKeyGUCVMZWCCKNKRW-UHFFFAOYSA-N
XLogP4.26
TPSA83.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)-2-oxo-N'-[4-(2,2,2-trifluoroethyl)phenyl]-1H-pyridine-3-carboximidamide?
The IUPAC name of 4-(cyclohexylamino)-2-oxo-N'-[4-(2,2,2-trifluoroethyl)phenyl]-1H-pyridine-3-carboximidamide (CID 137152937) is 4-(cyclohexylamino)-2-oxo-N'-[4-(2,2,2-trifluoroethyl)phenyl]-1H-pyridine-3-carboximidamide.
What is the SMILES notation for 4-(cyclohexylamino)-2-oxo-N'-[4-(2,2,2-trifluoroethyl)phenyl]-1H-pyridine-3-carboximidamide?
The canonical SMILES for 4-(cyclohexylamino)-2-oxo-N'-[4-(2,2,2-trifluoroethyl)phenyl]-1H-pyridine-3-carboximidamide is N/C(=N\c1ccc(CC(F)(F)F)cc1)c1c(NC2CCCCC2)cc[nH]c1=O.
What is the InChIKey of 4-(cyclohexylamino)-2-oxo-N'-[4-(2,2,2-trifluoroethyl)phenyl]-1H-pyridine-3-carboximidamide?
The InChIKey is GUCVMZWCCKNKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O/c21-20(22,23)12-13-6-8-15(9-7-13)27-18(24)17-16(10-11-25-19(17)28)26-14-4-2-1-3-5-14/h6-11,14H,1-5,12H2,(H2,24,27)(H2,25,26,28).
What are the key properties of 4-(cyclohexylamino)-2-oxo-N'-[4-(2,2,2-trifluoroethyl)phenyl]-1H-pyridine-3-carboximidamide?
4-(cyclohexylamino)-2-oxo-N'-[4-(2,2,2-trifluoroethyl)phenyl]-1H-pyridine-3-carboximidamide has a molecular weight of 392.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-2-oxo-N'-[4-(2,2,2-trifluoroethyl)phenyl]-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 137152937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).