N-[[4-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide

C22H20F3N3O2 — CID 171903951

IUPACN-[[4-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
SMILESCNc1ccc(C(NC(=O)C2C=CC(C(F)(F)F)=NC2=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H20F3N3O2/c1-13-3-5-14(6-4-13)19(15-7-9-16(26-2)10-8-15)28-21(30)17-11-12-18(22(23,24)25)27-20(17)29/h3-12,17,19,26H,1-2H3,(H,28,30)
InChIKeyPFSPZAIDEOTEHZ-UHFFFAOYSA-N
MW415.42 g/mol
LogP3.96
Rot. Bonds5

About N-[[4-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide

N-[[4-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide (PubChem CID 171903951) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is N-[[4-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
PubChem CID171903951
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC NameN-[[4-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
SMILESCNc1ccc(C(NC(=O)C2C=CC(C(F)(F)F)=NC2=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H20F3N3O2/c1-13-3-5-14(6-4-13)19(15-7-9-16(26-2)10-8-15)28-21(30)17-11-12-18(22(23,24)25)27-20(17)29/h3-12,17,19,26H,1-2H3,(H,28,30)
InChIKeyPFSPZAIDEOTEHZ-UHFFFAOYSA-N
XLogP3.96
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetamidophenyl)-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 70693583
N-(1-phenethylpiperidin-4-yl)-N-phenyl-3-(2,2,2-trifluoroacetamido)propanamide
CID 44416658
CID 138319676
CID 138319676
(3R,4S)-N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 155510888
(3R,4S)-4-[4-(1,1-difluoroethyl)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 155526795
(3R,4S)-4-[4-(difluoromethyl)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 155534051
(3S,4R)-N-[[4-(diethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 155539416
(3S,4R)-N-[(1S)-1-[4-(dimethylamino)phenyl]ethyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 155548062
N-[[4-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464244
N-[[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464382
N-[[3-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464490
1-acetyl-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-2H-quinoxaline-2-carboxamide
CID 53383260

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
The IUPAC name of N-[[4-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide (CID 171903951) is N-[[4-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide is CNc1ccc(C(NC(=O)C2C=CC(C(F)(F)F)=NC2=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[[4-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
The InChIKey is PFSPZAIDEOTEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c1-13-3-5-14(6-4-13)19(15-7-9-16(26-2)10-8-15)28-21(30)17-11-12-18(22(23,24)25)27-20(17)29/h3-12,17,19,26H,1-2H3,(H,28,30).
What are the key properties of N-[[4-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
N-[[4-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide has a molecular weight of 415.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide is sourced from PubChem (CID 171903951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).