6-hydroxy-5-[3-[6-hydroxy-5-isocyano-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3-pyridinyl]propa-1,2-dienyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile

C29H34N6O6 — CID 91525021

About 6-hydroxy-5-[3-[6-hydroxy-5-isocyano-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3-pyridinyl]propa-1,2-dienyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile

6-hydroxy-5-[3-[6-hydroxy-5-isocyano-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3-pyridinyl]propa-1,2-dienyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile (PubChem CID 91525021) has the molecular formula C29H34N6O6 and a molecular weight of 562.63 g/mol. Its IUPAC name is 6-hydroxy-5-[3-[6-hydroxy-5-isocyano-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3-pyridinyl]propa-1,2-dienyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-hydroxy-5-[3-[6-hydroxy-5-isocyano-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3-pyridinyl]propa-1,2-dienyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile
• PubChem CID: 91525021
• Molecular Formula: C29H34N6O6
• Molecular Weight: 562.63 g/mol
• Exact Mass: 562.25
• IUPAC Name: 6-hydroxy-5-[3-[6-hydroxy-5-isocyano-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3-pyridinyl]propa-1,2-dienyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile
• SMILES: [C-]#[N+]c1c(C)c(C=C=Cc2c(C)c(C#N)c(=O)n(CCN3CCOCC3)c2O)c(=O)n(CCN2CCOCC2)c1O
• InChI: InChI=1S/C29H34N6O6/c1-20-22(26(36)34(28(38)24(20)19-30)9-7-32-11-15-40-16-12-32)5-4-6-23-21(2)25(31-3)29(39)35(27(23)37)10-8-33-13-17-41-18-14-33/h5-6,36,39H,7-18H2,1-2H3
• InChIKey: ZWDNOMITLZFDBS-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 137.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.63
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[3-[6-hydroxy-5-isocyano-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3-pyridinyl]propa-1,2-dienyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile?

The IUPAC name of 6-hydroxy-5-[3-[6-hydroxy-5-isocyano-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3-pyridinyl]propa-1,2-dienyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile (CID 91525021) is 6-hydroxy-5-[3-[6-hydroxy-5-isocyano-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3-pyridinyl]propa-1,2-dienyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile.

What is the SMILES notation for 6-hydroxy-5-[3-[6-hydroxy-5-isocyano-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3-pyridinyl]propa-1,2-dienyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile?

The canonical SMILES for 6-hydroxy-5-[3-[6-hydroxy-5-isocyano-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3-pyridinyl]propa-1,2-dienyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile is [C-]#[N+]c1c(C)c(C=C=Cc2c(C)c(C#N)c(=O)n(CCN3CCOCC3)c2O)c(=O)n(CCN2CCOCC2)c1O.

What is the InChIKey of 6-hydroxy-5-[3-[6-hydroxy-5-isocyano-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3-pyridinyl]propa-1,2-dienyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile?

The InChIKey is ZWDNOMITLZFDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O6/c1-20-22(26(36)34(28(38)24(20)19-30)9-7-32-11-15-40-16-12-32)5-4-6-23-21(2)25(31-3)29(39)35(27(23)37)10-8-33-13-17-41-18-14-33/h5-6,36,39H,7-18H2,1-2H3.

What are the key properties of 6-hydroxy-5-[3-[6-hydroxy-5-isocyano-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3-pyridinyl]propa-1,2-dienyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile?

6-hydroxy-5-[3-[6-hydroxy-5-isocyano-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3-pyridinyl]propa-1,2-dienyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 562.63 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-hydroxy-5-[3-[6-hydroxy-5-isocyano-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3-pyridinyl]propa-1,2-dienyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 91525021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).