4-(methoxymethyl)-5-nitro-2-oxo-6-[2-(5-phenylfuran-2-yl)ethenyl]-1H-pyridine-3-carbonitrile

C20H15N3O5 — CID 4011644

IUPAC4-(methoxymethyl)-5-nitro-2-oxo-6-[2-(5-phenylfuran-2-yl)ethenyl]-1H-pyridine-3-carbonitrile
SMILESCOCc1c([N+](=O)[O-])c(C=Cc2ccc(-c3ccccc3)o2)[nH]c(=O)c1C#N
InChIInChI=1S/C20H15N3O5/c1-27-12-16-15(11-21)20(24)22-17(19(16)23(25)26)9-7-14-8-10-18(28-14)13-5-3-2-4-6-13/h2-10H,12H2,1H3,(H,22,24)
InChIKeyOYLWGSYAJVOOAW-UHFFFAOYSA-N
MW377.36 g/mol
LogP3.73
Rot. Bonds6

About 4-(methoxymethyl)-5-nitro-2-oxo-6-[2-(5-phenylfuran-2-yl)ethenyl]-1H-pyridine-3-carbonitrile

4-(methoxymethyl)-5-nitro-2-oxo-6-[2-(5-phenylfuran-2-yl)ethenyl]-1H-pyridine-3-carbonitrile (PubChem CID 4011644) has the molecular formula C20H15N3O5 and a molecular weight of 377.36 g/mol. Its IUPAC name is 4-(methoxymethyl)-5-nitro-2-oxo-6-[2-(5-phenylfuran-2-yl)ethenyl]-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(methoxymethyl)-5-nitro-2-oxo-6-[2-(5-phenylfuran-2-yl)ethenyl]-1H-pyridine-3-carbonitrile
PubChem CID4011644
Molecular FormulaC20H15N3O5
Molecular Weight377.36 g/mol
Exact Mass377.10
IUPAC Name4-(methoxymethyl)-5-nitro-2-oxo-6-[2-(5-phenylfuran-2-yl)ethenyl]-1H-pyridine-3-carbonitrile
SMILESCOCc1c([N+](=O)[O-])c(C=Cc2ccc(-c3ccccc3)o2)[nH]c(=O)c1C#N
InChIInChI=1S/C20H15N3O5/c1-27-12-16-15(11-21)20(24)22-17(19(16)23(25)26)9-7-14-8-10-18(28-14)13-5-3-2-4-6-13/h2-10H,12H2,1H3,(H,22,24)
InChIKeyOYLWGSYAJVOOAW-UHFFFAOYSA-N
XLogP3.73
TPSA122.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-5-nitro-2-oxo-6-[2-(5-phenylfuran-2-yl)ethenyl]-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(methoxymethyl)-5-nitro-2-oxo-6-[2-(5-phenylfuran-2-yl)ethenyl]-1H-pyridine-3-carbonitrile (CID 4011644) is 4-(methoxymethyl)-5-nitro-2-oxo-6-[2-(5-phenylfuran-2-yl)ethenyl]-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(methoxymethyl)-5-nitro-2-oxo-6-[2-(5-phenylfuran-2-yl)ethenyl]-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(methoxymethyl)-5-nitro-2-oxo-6-[2-(5-phenylfuran-2-yl)ethenyl]-1H-pyridine-3-carbonitrile is COCc1c([N+](=O)[O-])c(C=Cc2ccc(-c3ccccc3)o2)[nH]c(=O)c1C#N.
What is the InChIKey of 4-(methoxymethyl)-5-nitro-2-oxo-6-[2-(5-phenylfuran-2-yl)ethenyl]-1H-pyridine-3-carbonitrile?
The InChIKey is OYLWGSYAJVOOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O5/c1-27-12-16-15(11-21)20(24)22-17(19(16)23(25)26)9-7-14-8-10-18(28-14)13-5-3-2-4-6-13/h2-10H,12H2,1H3,(H,22,24).
What are the key properties of 4-(methoxymethyl)-5-nitro-2-oxo-6-[2-(5-phenylfuran-2-yl)ethenyl]-1H-pyridine-3-carbonitrile?
4-(methoxymethyl)-5-nitro-2-oxo-6-[2-(5-phenylfuran-2-yl)ethenyl]-1H-pyridine-3-carbonitrile has a molecular weight of 377.36 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-5-nitro-2-oxo-6-[2-(5-phenylfuran-2-yl)ethenyl]-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 4011644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).