5-(cyclohexylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide

C18H18F3N3O — CID 109183232

IUPAC5-(cyclohexylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(NC2CCCCC2)cn1
InChIInChI=1S/C18H18F3N3O/c19-13-7-9-14(17(21)16(13)20)24-18(25)15-8-6-12(10-22-15)23-11-4-2-1-3-5-11/h6-11,23H,1-5H2,(H,24,25)
InChIKeyMZXUIHCZVNCYPN-UHFFFAOYSA-N
MW349.36 g/mol
LogP4.50
Rot. Bonds4

About 5-(cyclohexylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide

5-(cyclohexylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (PubChem CID 109183232) has the molecular formula C18H18F3N3O and a molecular weight of 349.36 g/mol. Its IUPAC name is 5-(cyclohexylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
PubChem CID109183232
Molecular FormulaC18H18F3N3O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name5-(cyclohexylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(NC2CCCCC2)cn1
InChIInChI=1S/C18H18F3N3O/c19-13-7-9-14(17(21)16(13)20)24-18(25)15-8-6-12(10-22-15)23-11-4-2-1-3-5-11/h6-11,23H,1-5H2,(H,24,25)
InChIKeyMZXUIHCZVNCYPN-UHFFFAOYSA-N
XLogP4.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109195345
4-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109204356
N-(5-chloro-2-methylphenyl)-5-(cyclohexylamino)pyridine-2-carboxamide
CID 109183168
5-(cyclohexylamino)-N-phenylpyridine-2-carboxamide
CID 109183141
5-(cyclohexylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179840
N-(2-chlorophenyl)-5-(cyclopentylamino)pyridine-2-carboxamide
CID 109182452
5-(cyclohexylamino)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109183205
5-(2,6-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109200966
5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109197557
5-(cyclohexylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109183176
5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyridine-2-carboxamide
CID 109195369
5-(cyclohexylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide
CID 109183218

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(cyclohexylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (CID 109183232) is 5-(cyclohexylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(cyclohexylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(cyclohexylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1ccc(NC2CCCCC2)cn1.
What is the InChIKey of 5-(cyclohexylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The InChIKey is MZXUIHCZVNCYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O/c19-13-7-9-14(17(21)16(13)20)24-18(25)15-8-6-12(10-22-15)23-11-4-2-1-3-5-11/h6-11,23H,1-5H2,(H,24,25).
What are the key properties of 5-(cyclohexylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
5-(cyclohexylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide has a molecular weight of 349.36 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109183232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).