N-[4-amino-5-(cyclohexyliminomethyl)-2-morpholin-4-ylphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

C24H28F3N5O2 — CID 155751781

IUPACN-[4-amino-5-(cyclohexyliminomethyl)-2-morpholin-4-ylphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESNc1cc(N2CCOCC2)c(NC(=O)c2cccc(C(F)(F)F)n2)cc1/C=N/C1CCCCC1
InChIInChI=1S/C24H28F3N5O2/c25-24(26,27)22-8-4-7-19(30-22)23(33)31-20-13-16(15-29-17-5-2-1-3-6-17)18(28)14-21(20)32-9-11-34-12-10-32/h4,7-8,13-15,17H,1-3,5-6,9-12,28H2,(H,31,33)/b29-15+
InChIKeyAJWNWFQJOXYSIN-WKULSOCRSA-N
MW475.52 g/mol
LogP4.52
Rot. Bonds5

About N-[4-amino-5-(cyclohexyliminomethyl)-2-morpholin-4-ylphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[4-amino-5-(cyclohexyliminomethyl)-2-morpholin-4-ylphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155751781) has the molecular formula C24H28F3N5O2 and a molecular weight of 475.52 g/mol. Its IUPAC name is N-[4-amino-5-(cyclohexyliminomethyl)-2-morpholin-4-ylphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-amino-5-(cyclohexyliminomethyl)-2-morpholin-4-ylphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID155751781
Molecular FormulaC24H28F3N5O2
Molecular Weight475.52 g/mol
Exact Mass475.22
IUPAC NameN-[4-amino-5-(cyclohexyliminomethyl)-2-morpholin-4-ylphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESNc1cc(N2CCOCC2)c(NC(=O)c2cccc(C(F)(F)F)n2)cc1/C=N/C1CCCCC1
InChIInChI=1S/C24H28F3N5O2/c25-24(26,27)22-8-4-7-19(30-22)23(33)31-20-13-16(15-29-17-5-2-1-3-6-17)18(28)14-21(20)32-9-11-34-12-10-32/h4,7-8,13-15,17H,1-3,5-6,9-12,28H2,(H,31,33)/b29-15+
InChIKeyAJWNWFQJOXYSIN-WKULSOCRSA-N
XLogP4.52
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-5-(cyclohexyliminomethyl)-2-morpholin-4-ylphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-amino-5-(cyclohexyliminomethyl)-2-morpholin-4-ylphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 155751781) is N-[4-amino-5-(cyclohexyliminomethyl)-2-morpholin-4-ylphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-amino-5-(cyclohexyliminomethyl)-2-morpholin-4-ylphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-amino-5-(cyclohexyliminomethyl)-2-morpholin-4-ylphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is Nc1cc(N2CCOCC2)c(NC(=O)c2cccc(C(F)(F)F)n2)cc1/C=N/C1CCCCC1.
What is the InChIKey of N-[4-amino-5-(cyclohexyliminomethyl)-2-morpholin-4-ylphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is AJWNWFQJOXYSIN-WKULSOCRSA-N. The full InChI is InChI=1S/C24H28F3N5O2/c25-24(26,27)22-8-4-7-19(30-22)23(33)31-20-13-16(15-29-17-5-2-1-3-6-17)18(28)14-21(20)32-9-11-34-12-10-32/h4,7-8,13-15,17H,1-3,5-6,9-12,28H2,(H,31,33)/b29-15+.
What are the key properties of N-[4-amino-5-(cyclohexyliminomethyl)-2-morpholin-4-ylphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[4-amino-5-(cyclohexyliminomethyl)-2-morpholin-4-ylphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-5-(cyclohexyliminomethyl)-2-morpholin-4-ylphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155751781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).