4-(cyclohexylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)pyrrolidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide

C23H28F3N5O — CID 137282046

IUPAC4-(cyclohexylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)pyrrolidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide
SMILESN/C(=N\c1ccc(C2(C(F)(F)F)CCCN2)cc1)c1c(NC2CCCCC2)cc[nH]c1=O
InChIInChI=1S/C23H28F3N5O/c24-23(25,26)22(12-4-13-29-22)15-7-9-17(10-8-15)31-20(27)19-18(11-14-28-21(19)32)30-16-5-2-1-3-6-16/h7-11,14,16,29H,1-6,12-13H2,(H2,27,31)(H2,28,30,32)
InChIKeyZQVWORUQFKFOLI-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.30
Rot. Bonds5

About 4-(cyclohexylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)pyrrolidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide

4-(cyclohexylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)pyrrolidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide (PubChem CID 137282046) has the molecular formula C23H28F3N5O and a molecular weight of 447.51 g/mol. Its IUPAC name is 4-(cyclohexylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)pyrrolidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)pyrrolidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide
PubChem CID137282046
Molecular FormulaC23H28F3N5O
Molecular Weight447.51 g/mol
Exact Mass447.22
IUPAC Name4-(cyclohexylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)pyrrolidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide
SMILESN/C(=N\c1ccc(C2(C(F)(F)F)CCCN2)cc1)c1c(NC2CCCCC2)cc[nH]c1=O
InChIInChI=1S/C23H28F3N5O/c24-23(25,26)22(12-4-13-29-22)15-7-9-17(10-8-15)31-20(27)19-18(11-14-28-21(19)32)30-16-5-2-1-3-6-16/h7-11,14,16,29H,1-6,12-13H2,(H2,27,31)(H2,28,30,32)
InChIKeyZQVWORUQFKFOLI-UHFFFAOYSA-N
XLogP4.30
TPSA95.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.30
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'}

Analyze 4-(cyclohexylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)pyrrolidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)pyrrolidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide?
The IUPAC name of 4-(cyclohexylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)pyrrolidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide (CID 137282046) is 4-(cyclohexylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)pyrrolidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide.
What is the SMILES notation for 4-(cyclohexylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)pyrrolidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide?
The canonical SMILES for 4-(cyclohexylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)pyrrolidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide is N/C(=N\c1ccc(C2(C(F)(F)F)CCCN2)cc1)c1c(NC2CCCCC2)cc[nH]c1=O.
What is the InChIKey of 4-(cyclohexylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)pyrrolidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide?
The InChIKey is ZQVWORUQFKFOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N5O/c24-23(25,26)22(12-4-13-29-22)15-7-9-17(10-8-15)31-20(27)19-18(11-14-28-21(19)32)30-16-5-2-1-3-6-16/h7-11,14,16,29H,1-6,12-13H2,(H2,27,31)(H2,28,30,32).
What are the key properties of 4-(cyclohexylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)pyrrolidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide?
4-(cyclohexylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)pyrrolidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide has a molecular weight of 447.51 g/mol, XLogP of 4.30, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)pyrrolidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 137282046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).