N-[(6-bromo-2-pyridinyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C19H13BrF3N3O2 — CID 155464616

IUPACN-[(6-bromo-2-pyridinyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1cccc(Br)n1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C19H13BrF3N3O2/c20-15-8-4-7-13(24-15)16(11-5-2-1-3-6-11)26-18(28)12-9-10-14(19(21,22)23)25-17(12)27/h1-10,16H,(H,25,27)(H,26,28)
InChIKeyIMYATOSMESXTGM-UHFFFAOYSA-N
MW452.23 g/mol
LogP4.07
Rot. Bonds4

About N-[(6-bromo-2-pyridinyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[(6-bromo-2-pyridinyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464616) has the molecular formula C19H13BrF3N3O2 and a molecular weight of 452.23 g/mol. Its IUPAC name is N-[(6-bromo-2-pyridinyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-bromo-2-pyridinyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464616
Molecular FormulaC19H13BrF3N3O2
Molecular Weight452.23 g/mol
Exact Mass451.01
IUPAC NameN-[(6-bromo-2-pyridinyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1cccc(Br)n1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C19H13BrF3N3O2/c20-15-8-4-7-13(24-15)16(11-5-2-1-3-6-11)26-18(28)12-9-10-14(19(21,22)23)25-17(12)27/h1-10,16H,(H,25,27)(H,26,28)
InChIKeyIMYATOSMESXTGM-UHFFFAOYSA-N
XLogP4.07
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.23
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(6-bromo-2-pyridinyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-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

Related Compounds

N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 110001816
N-[[4-(methanesulfonamido)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464436
N-[1,3-dihydro-2-benzofuran-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464383
N-[1,3-benzodioxol-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464882
2-oxo-N-[phenyl(1,2,3,4-tetrahydroisoquinolin-7-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464418
N-[(4-methoxyphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464930
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 43170817
N-[(4-cyclohexa-1,5-dien-1-yloxyphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155571854
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 30100320
N-(1,3-dihydroxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65310475
N-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane
CID 155571822
N-[(1R)-1-cyclopropylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 33044492

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-pyridinyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(6-bromo-2-pyridinyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464616) is N-[(6-bromo-2-pyridinyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-bromo-2-pyridinyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(6-bromo-2-pyridinyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC(c1ccccc1)c1cccc(Br)n1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[(6-bromo-2-pyridinyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is IMYATOSMESXTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrF3N3O2/c20-15-8-4-7-13(24-15)16(11-5-2-1-3-6-11)26-18(28)12-9-10-14(19(21,22)23)25-17(12)27/h1-10,16H,(H,25,27)(H,26,28).
What are the key properties of N-[(6-bromo-2-pyridinyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(6-bromo-2-pyridinyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 452.23 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-pyridinyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).