5-bromo-2-(3-imidazol-1-ylpropylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C19H17BrF3N5O — CID 44530424

IUPAC5-bromo-2-(3-imidazol-1-ylpropylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Br)cnc1NCCCn1ccnc1
InChIInChI=1S/C19H17BrF3N5O/c20-14-10-16(17(26-11-14)25-6-1-8-28-9-7-24-12-28)18(29)27-15-4-2-13(3-5-15)19(21,22)23/h2-5,7,9-12H,1,6,8H2,(H,25,26)(H,27,29)
InChIKeyVGPIHFKESCPUPH-UHFFFAOYSA-N
MW468.28 g/mol
LogP4.81
Rot. Bonds7

About 5-bromo-2-(3-imidazol-1-ylpropylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

5-bromo-2-(3-imidazol-1-ylpropylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 44530424) has the molecular formula C19H17BrF3N5O and a molecular weight of 468.28 g/mol. Its IUPAC name is 5-bromo-2-(3-imidazol-1-ylpropylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(3-imidazol-1-ylpropylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID44530424
Molecular FormulaC19H17BrF3N5O
Molecular Weight468.28 g/mol
Exact Mass467.06
IUPAC Name5-bromo-2-(3-imidazol-1-ylpropylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Br)cnc1NCCCn1ccnc1
InChIInChI=1S/C19H17BrF3N5O/c20-14-10-16(17(26-11-14)25-6-1-8-28-9-7-24-12-28)18(29)27-15-4-2-13(3-5-15)19(21,22)23/h2-5,7,9-12H,1,6,8H2,(H,25,26)(H,27,29)
InChIKeyVGPIHFKESCPUPH-UHFFFAOYSA-N
XLogP4.81
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.28
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(3-imidazol-1-ylpropylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide 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 5-bromo-2-(3-imidazol-1-ylpropylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(3-imidazol-1-ylpropylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 44530424) is 5-bromo-2-(3-imidazol-1-ylpropylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(3-imidazol-1-ylpropylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(3-imidazol-1-ylpropylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Br)cnc1NCCCn1ccnc1.
What is the InChIKey of 5-bromo-2-(3-imidazol-1-ylpropylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is VGPIHFKESCPUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrF3N5O/c20-14-10-16(17(26-11-14)25-6-1-8-28-9-7-24-12-28)18(29)27-15-4-2-13(3-5-15)19(21,22)23/h2-5,7,9-12H,1,6,8H2,(H,25,26)(H,27,29).
What are the key properties of 5-bromo-2-(3-imidazol-1-ylpropylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
5-bromo-2-(3-imidazol-1-ylpropylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 468.28 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-imidazol-1-ylpropylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 44530424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).