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

C25H28N4O6 — CID 91274603

IUPAC6-hydroxy-5-[3-[6-hydroxy-5-isocyano-1-(3-methoxypropyl)-4-methyl-2-oxo-3-pyridinyl]propa-1,2-dienyl]-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile
SMILES[C-]#[N+]c1c(C)c(C=C=Cc2c(C)c(C#N)c(=O)n(CCCOC)c2O)c(=O)n(CCCOC)c1O
InChIInChI=1S/C25H28N4O6/c1-16-18(22(30)28(11-7-13-34-4)24(32)20(16)15-26)9-6-10-19-17(2)21(27-3)25(33)29(23(19)31)12-8-14-35-5/h9-10,30,33H,7-8,11-14H2,1-2,4-5H3
InChIKeyUXPMNLWXDVTJCT-UHFFFAOYSA-N
MW480.52 g/mol
LogP2.86
Rot. Bonds10

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

6-hydroxy-5-[3-[6-hydroxy-5-isocyano-1-(3-methoxypropyl)-4-methyl-2-oxo-3-pyridinyl]propa-1,2-dienyl]-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 91274603) has the molecular formula C25H28N4O6 and a molecular weight of 480.52 g/mol. Its IUPAC name is 6-hydroxy-5-[3-[6-hydroxy-5-isocyano-1-(3-methoxypropyl)-4-methyl-2-oxo-3-pyridinyl]propa-1,2-dienyl]-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-5-[3-[6-hydroxy-5-isocyano-1-(3-methoxypropyl)-4-methyl-2-oxo-3-pyridinyl]propa-1,2-dienyl]-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID91274603
Molecular FormulaC25H28N4O6
Molecular Weight480.52 g/mol
Exact Mass480.20
IUPAC Name6-hydroxy-5-[3-[6-hydroxy-5-isocyano-1-(3-methoxypropyl)-4-methyl-2-oxo-3-pyridinyl]propa-1,2-dienyl]-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile
SMILES[C-]#[N+]c1c(C)c(C=C=Cc2c(C)c(C#N)c(=O)n(CCCOC)c2O)c(=O)n(CCCOC)c1O
InChIInChI=1S/C25H28N4O6/c1-16-18(22(30)28(11-7-13-34-4)24(32)20(16)15-26)9-6-10-19-17(2)21(27-3)25(33)29(23(19)31)12-8-14-35-5/h9-10,30,33H,7-8,11-14H2,1-2,4-5H3
InChIKeyUXPMNLWXDVTJCT-UHFFFAOYSA-N
XLogP2.86
TPSA131.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-hydroxy-5-[3-[6-hydroxy-5-isocyano-1-(3-methoxypropyl)-4-methyl-2-oxo-3-pyridinyl]propa-1,2-dienyl]-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile with MolForge

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Related Compounds

1-butyl-5-[3-(1-butyl-6-hydroxy-5-isocyano-2-oxo-4-pentyl-3-pyridinyl)propa-1,2-dienyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 90749934
5-[(3-chloro-4-methylphenyl)iminomethyl]-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 135668793
5-[(2,3-dichlorophenyl)iminomethyl]-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 135668436
6-hydroxy-1-(3-methoxypropyl)-4-methyl-5-[(3-nitrophenyl)iminomethyl]-2-oxopyridine-3-carbonitrile
CID 135668356
5-[(2-ethoxyphenyl)iminomethyl]-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 135984271
6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile
CID 19117086
5-(furan-2-carbonyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 19117096
5-(4-bromobenzoyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 19117082
1-(3-butoxypropyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 91056744
6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxo-5-[(4-propan-2-ylphenyl)iminomethyl]pyridine-3-carbonitrile
CID 135649303
5-[(4-ethoxy-2-nitrophenyl)iminomethyl]-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 135668943
5-(2,4-dichlorobenzoyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 19117094

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[3-[6-hydroxy-5-isocyano-1-(3-methoxypropyl)-4-methyl-2-oxo-3-pyridinyl]propa-1,2-dienyl]-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-5-[3-[6-hydroxy-5-isocyano-1-(3-methoxypropyl)-4-methyl-2-oxo-3-pyridinyl]propa-1,2-dienyl]-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile (CID 91274603) is 6-hydroxy-5-[3-[6-hydroxy-5-isocyano-1-(3-methoxypropyl)-4-methyl-2-oxo-3-pyridinyl]propa-1,2-dienyl]-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-5-[3-[6-hydroxy-5-isocyano-1-(3-methoxypropyl)-4-methyl-2-oxo-3-pyridinyl]propa-1,2-dienyl]-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-5-[3-[6-hydroxy-5-isocyano-1-(3-methoxypropyl)-4-methyl-2-oxo-3-pyridinyl]propa-1,2-dienyl]-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile is [C-]#[N+]c1c(C)c(C=C=Cc2c(C)c(C#N)c(=O)n(CCCOC)c2O)c(=O)n(CCCOC)c1O.
What is the InChIKey of 6-hydroxy-5-[3-[6-hydroxy-5-isocyano-1-(3-methoxypropyl)-4-methyl-2-oxo-3-pyridinyl]propa-1,2-dienyl]-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is UXPMNLWXDVTJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O6/c1-16-18(22(30)28(11-7-13-34-4)24(32)20(16)15-26)9-6-10-19-17(2)21(27-3)25(33)29(23(19)31)12-8-14-35-5/h9-10,30,33H,7-8,11-14H2,1-2,4-5H3.
What are the key properties of 6-hydroxy-5-[3-[6-hydroxy-5-isocyano-1-(3-methoxypropyl)-4-methyl-2-oxo-3-pyridinyl]propa-1,2-dienyl]-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile?
6-hydroxy-5-[3-[6-hydroxy-5-isocyano-1-(3-methoxypropyl)-4-methyl-2-oxo-3-pyridinyl]propa-1,2-dienyl]-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 480.52 g/mol, XLogP of 2.86, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[3-[6-hydroxy-5-isocyano-1-(3-methoxypropyl)-4-methyl-2-oxo-3-pyridinyl]propa-1,2-dienyl]-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 91274603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).