5-cyano-4-(4-cyanophenyl)-6-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide

About 5-cyano-4-(4-cyanophenyl)-6-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide

5-cyano-4-(4-cyanophenyl)-6-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide (PubChem CID 71191975) has the molecular formula C29H26F3N5O4 and a molecular weight of 565.55 g/mol. Its IUPAC name is 5-cyano-4-(4-cyanophenyl)-6-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide.

Molecular Properties

Compound Name	5-cyano-4-(4-cyanophenyl)-6-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide
PubChem CID	71191975
Molecular Formula	C29H26F3N5O4
Molecular Weight	565.55 g/mol
Exact Mass	565.19
IUPAC Name	5-cyano-4-(4-cyanophenyl)-6-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide
SMILES	CC1=C(C#N)C(c2ccc(C#N)cc2)C(C(=O)N[C@@H](C)C(=O)N2CCOCC2)C(=O)N1c1cccc(C(F)(F)F)c1
InChI	InChI=1S/C29H26F3N5O4/c1-17(27(39)36-10-12-41-13-11-36)35-26(38)25-24(20-8-6-19(15-33)7-9-20)23(16-34)18(2)37(28(25)40)22-5-3-4-21(14-22)29(30,31)32/h3-9,14,17,24-25H,10-13H2,1-2H3,(H,35,38)/t17-,24?,25?/m0/s1
InChIKey	VAVSMJKZUSBPJP-HHDZUXODSA-N
XLogP	3.48
TPSA	126.53 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	41
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.55
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-cyano-4-(4-cyanophenyl)-6-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide?

The IUPAC name of 5-cyano-4-(4-cyanophenyl)-6-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide (CID 71191975) is 5-cyano-4-(4-cyanophenyl)-6-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide.

What is the SMILES notation for 5-cyano-4-(4-cyanophenyl)-6-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide?

The canonical SMILES for 5-cyano-4-(4-cyanophenyl)-6-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide is CC1=C(C#N)C(c2ccc(C#N)cc2)C(C(=O)N[C@@H](C)C(=O)N2CCOCC2)C(=O)N1c1cccc(C(F)(F)F)c1.

What is the InChIKey of 5-cyano-4-(4-cyanophenyl)-6-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide?

The InChIKey is VAVSMJKZUSBPJP-HHDZUXODSA-N. The full InChI is InChI=1S/C29H26F3N5O4/c1-17(27(39)36-10-12-41-13-11-36)35-26(38)25-24(20-8-6-19(15-33)7-9-20)23(16-34)18(2)37(28(25)40)22-5-3-4-21(14-22)29(30,31)32/h3-9,14,17,24-25H,10-13H2,1-2H3,(H,35,38)/t17-,24?,25?/m0/s1.

What are the key properties of 5-cyano-4-(4-cyanophenyl)-6-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide?

5-cyano-4-(4-cyanophenyl)-6-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide has a molecular weight of 565.55 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyano-4-(4-cyanophenyl)-6-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide is sourced from PubChem (CID 71191975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).