5-cyano-4-(4-cyanophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-3-carboxamide

C22H15F3N4O2 — CID 69353347

IUPAC5-cyano-4-(4-cyanophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-3-carboxamide
SMILESCC1=C(C#N)C(c2ccc(C#N)cc2)C(C(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1
InChIInChI=1S/C22H15F3N4O2/c1-12-17(11-27)18(14-7-5-13(10-26)6-8-14)19(20(30)28-12)21(31)29-16-4-2-3-15(9-16)22(23,24)25/h2-9,18-19H,1H3,(H,28,30)(H,29,31)
InChIKeyPBUJEANOVHCZTP-UHFFFAOYSA-N
MW424.38 g/mol
LogP3.84
Rot. Bonds3

About 5-cyano-4-(4-cyanophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-3-carboxamide

5-cyano-4-(4-cyanophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-3-carboxamide (PubChem CID 69353347) has the molecular formula C22H15F3N4O2 and a molecular weight of 424.38 g/mol. Its IUPAC name is 5-cyano-4-(4-cyanophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-4-(4-cyanophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-3-carboxamide
PubChem CID69353347
Molecular FormulaC22H15F3N4O2
Molecular Weight424.38 g/mol
Exact Mass424.11
IUPAC Name5-cyano-4-(4-cyanophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-3-carboxamide
SMILESCC1=C(C#N)C(c2ccc(C#N)cc2)C(C(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1
InChIInChI=1S/C22H15F3N4O2/c1-12-17(11-27)18(14-7-5-13(10-26)6-8-14)19(20(30)28-12)21(31)29-16-4-2-3-15(9-16)22(23,24)25/h2-9,18-19H,1H3,(H,28,30)(H,29,31)
InChIKeyPBUJEANOVHCZTP-UHFFFAOYSA-N
XLogP3.84
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-cyanophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 4830603
5-cyano-4-(4-cyanophenyl)-N-ethyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide
CID 71192027
(4S,5R)-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 155546203
4-cyano-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 833847
3,4-dimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexa-2,4-diene-1-carboxamide
CID 162557694
3-acetyl-4-(4-cyanophenyl)-2-imino-6-methyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carbonitrile
CID 90854549
5-cyano-N-ethyl-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-3-carboxamide
CID 10154984
6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3956275
2-[[(4R)-5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 51500469
5-acetyl-4-(4-cyanophenyl)-N-(2,4-dimethylphenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide
CID 59666200
N-(4-cyanophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109040794
methyl (3R,4S)-4-(3-bromophenyl)-5-cyano-2-oxo-6-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate
CID 126334052

Frequently Asked Questions

What is the IUPAC name of 5-cyano-4-(4-cyanophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-3-carboxamide?
The IUPAC name of 5-cyano-4-(4-cyanophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-3-carboxamide (CID 69353347) is 5-cyano-4-(4-cyanophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-4-(4-cyanophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-cyano-4-(4-cyanophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-3-carboxamide is CC1=C(C#N)C(c2ccc(C#N)cc2)C(C(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1.
What is the InChIKey of 5-cyano-4-(4-cyanophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-3-carboxamide?
The InChIKey is PBUJEANOVHCZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O2/c1-12-17(11-27)18(14-7-5-13(10-26)6-8-14)19(20(30)28-12)21(31)29-16-4-2-3-15(9-16)22(23,24)25/h2-9,18-19H,1H3,(H,28,30)(H,29,31).
What are the key properties of 5-cyano-4-(4-cyanophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-3-carboxamide?
5-cyano-4-(4-cyanophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-3-carboxamide has a molecular weight of 424.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-4-(4-cyanophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-3-carboxamide is sourced from PubChem (CID 69353347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).