5-cyano-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide

C24H20F3N5O — CID 21110139

IUPAC5-cyano-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide
SMILES[H]/N=C1/C(C(=O)N(C)C)C(c2ccc(C#N)cc2)C(C#N)=C(C)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H20F3N5O/c1-14-19(13-29)20(16-9-7-15(12-28)8-10-16)21(23(33)31(2)3)22(30)32(14)18-6-4-5-17(11-18)24(25,26)27/h4-11,20-21,30H,1-3H3/b30-22-
InChIKeyBQMPBJBGYYCDBD-SWKFRHMKSA-N
MW451.45 g/mol
LogP4.66
Rot. Bonds3

About 5-cyano-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide

5-cyano-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide (PubChem CID 21110139) has the molecular formula C24H20F3N5O and a molecular weight of 451.45 g/mol. Its IUPAC name is 5-cyano-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide
PubChem CID21110139
Molecular FormulaC24H20F3N5O
Molecular Weight451.45 g/mol
Exact Mass451.16
IUPAC Name5-cyano-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide
SMILES[H]/N=C1/C(C(=O)N(C)C)C(c2ccc(C#N)cc2)C(C#N)=C(C)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H20F3N5O/c1-14-19(13-29)20(16-9-7-15(12-28)8-10-16)21(23(33)31(2)3)22(30)32(14)18-6-4-5-17(11-18)24(25,26)27/h4-11,20-21,30H,1-3H3/b30-22-
InChIKeyBQMPBJBGYYCDBD-SWKFRHMKSA-N
XLogP4.66
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(S)-3-(3-(2-Amino-1,4,5,5-tetramethyl-6-oxo-1,4,5,6-tetrahydropyrimidin-4-yl)-4-fluorophenylamino)-4-fluorobenzonitrile
CID 66727454
4-(4-Cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carbonitrile
CID 21110133
5-Cyano-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide
CID 9802432
5-acetyl-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide
CID 11488191
2-Amino-5-cyano-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-1,4-dihydro-3-pyridinecarboxamide
CID 11604219
5-cyano-4-(4-cyanophenyl)-N,N,6-trimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide
CID 21110144
3-[3-(2-Amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl)-4-fluoroanilino]-4-fluorobenzonitrile
CID 57497095
4-(4-cyanophenyl)-N-[3-(cyclopropylamino)-3-oxopropyl]-5-isocyano-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide
CID 58638574
4-(4-cyanophenyl)-N-ethyl-5-isocyano-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide
CID 58638576
4-(4-Cyanophenyl)-5-isocyano-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide
CID 58638581
N-butyl-4-(4-cyanophenyl)-5-isocyano-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide
CID 58638593
4-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]-5-isocyano-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide
CID 58638600

Frequently Asked Questions

What is the IUPAC name of 5-cyano-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide?
The IUPAC name of 5-cyano-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide (CID 21110139) is 5-cyano-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide?
The canonical SMILES for 5-cyano-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide is [H]/N=C1/C(C(=O)N(C)C)C(c2ccc(C#N)cc2)C(C#N)=C(C)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-cyano-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide?
The InChIKey is BQMPBJBGYYCDBD-SWKFRHMKSA-N. The full InChI is InChI=1S/C24H20F3N5O/c1-14-19(13-29)20(16-9-7-15(12-28)8-10-16)21(23(33)31(2)3)22(30)32(14)18-6-4-5-17(11-18)24(25,26)27/h4-11,20-21,30H,1-3H3/b30-22-.
What are the key properties of 5-cyano-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide?
5-cyano-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide has a molecular weight of 451.45 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide is sourced from PubChem (CID 21110139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).