4-[(1Z)-1-[(3Z)-4-(azetidin-1-yl)-5-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethylidene-2-pyridinylidene]prop-2-enyl]benzonitrile

C32H34N4O — CID 139470959

About 4-[(1Z)-1-[(3Z)-4-(azetidin-1-yl)-5-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethylidene-2-pyridinylidene]prop-2-enyl]benzonitrile

4-[(1Z)-1-[(3Z)-4-(azetidin-1-yl)-5-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethylidene-2-pyridinylidene]prop-2-enyl]benzonitrile (PubChem CID 139470959) has the molecular formula C32H34N4O and a molecular weight of 490.65 g/mol. Its IUPAC name is 4-[(1Z)-1-[(3Z)-4-(azetidin-1-yl)-5-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethylidene-2-pyridinylidene]prop-2-enyl]benzonitrile.

Molecular Properties

• Compound Name: 4-[(1Z)-1-[(3Z)-4-(azetidin-1-yl)-5-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethylidene-2-pyridinylidene]prop-2-enyl]benzonitrile
• PubChem CID: 139470959
• Molecular Formula: C32H34N4O
• Molecular Weight: 490.65 g/mol
• Exact Mass: 490.27
• IUPAC Name: 4-[(1Z)-1-[(3Z)-4-(azetidin-1-yl)-5-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethylidene-2-pyridinylidene]prop-2-enyl]benzonitrile
• SMILES: C=C/C(c1ccc(C#N)cc1)=c1/ncc(-c2ccc(N3CC(C)OC(C)C3)cc2)c(N2CCC2)/c1=C/C
• InChI: InChI=1S/C32H34N4O/c1-5-28(25-10-8-24(18-33)9-11-25)31-29(6-2)32(35-16-7-17-35)30(19-34-31)26-12-14-27(15-13-26)36-20-22(3)37-23(4)21-36/h5-6,8-15,19,22-23H,1,7,16-17,20-21H2,2-4H3/b29-6+,31-28-
• InChIKey: NSOIQLMWMHERMB-YILBFAFASA-N
• XLogP: 4.63
• TPSA: 52.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.65
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-1-[(3Z)-4-(azetidin-1-yl)-5-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethylidene-2-pyridinylidene]prop-2-enyl]benzonitrile?

The IUPAC name of 4-[(1Z)-1-[(3Z)-4-(azetidin-1-yl)-5-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethylidene-2-pyridinylidene]prop-2-enyl]benzonitrile (CID 139470959) is 4-[(1Z)-1-[(3Z)-4-(azetidin-1-yl)-5-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethylidene-2-pyridinylidene]prop-2-enyl]benzonitrile.

What is the SMILES notation for 4-[(1Z)-1-[(3Z)-4-(azetidin-1-yl)-5-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethylidene-2-pyridinylidene]prop-2-enyl]benzonitrile?

The canonical SMILES for 4-[(1Z)-1-[(3Z)-4-(azetidin-1-yl)-5-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethylidene-2-pyridinylidene]prop-2-enyl]benzonitrile is C=C/C(c1ccc(C#N)cc1)=c1/ncc(-c2ccc(N3CC(C)OC(C)C3)cc2)c(N2CCC2)/c1=C/C.

What is the InChIKey of 4-[(1Z)-1-[(3Z)-4-(azetidin-1-yl)-5-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethylidene-2-pyridinylidene]prop-2-enyl]benzonitrile?

The InChIKey is NSOIQLMWMHERMB-YILBFAFASA-N. The full InChI is InChI=1S/C32H34N4O/c1-5-28(25-10-8-24(18-33)9-11-25)31-29(6-2)32(35-16-7-17-35)30(19-34-31)26-12-14-27(15-13-26)36-20-22(3)37-23(4)21-36/h5-6,8-15,19,22-23H,1,7,16-17,20-21H2,2-4H3/b29-6+,31-28-.

What are the key properties of 4-[(1Z)-1-[(3Z)-4-(azetidin-1-yl)-5-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethylidene-2-pyridinylidene]prop-2-enyl]benzonitrile?

4-[(1Z)-1-[(3Z)-4-(azetidin-1-yl)-5-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethylidene-2-pyridinylidene]prop-2-enyl]benzonitrile has a molecular weight of 490.65 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1Z)-1-[(3Z)-4-(azetidin-1-yl)-5-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethylidene-2-pyridinylidene]prop-2-enyl]benzonitrile is sourced from PubChem (CID 139470959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).