N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide

C24H19N3O6 — CID 44522186

IUPACN-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide
SMILESCOc1ccc(OC)c(-c2cccc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3)n2)c1
InChIInChI=1S/C24H19N3O6/c1-31-17-9-10-21(32-2)18(14-17)20-8-4-7-19(26-20)15-5-3-6-16(13-15)25-24(28)22-11-12-23(33-22)27(29)30/h3-14H,1-2H3,(H,25,28)
InChIKeyXRBGXBFIRYOFPV-UHFFFAOYSA-N
MW445.43 g/mol
LogP5.19
Rot. Bonds7

About N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide

N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide (PubChem CID 44522186) has the molecular formula C24H19N3O6 and a molecular weight of 445.43 g/mol. Its IUPAC name is N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide
PubChem CID44522186
Molecular FormulaC24H19N3O6
Molecular Weight445.43 g/mol
Exact Mass445.13
IUPAC NameN-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide
SMILESCOc1ccc(OC)c(-c2cccc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3)n2)c1
InChIInChI=1S/C24H19N3O6/c1-31-17-9-10-21(32-2)18(14-17)20-8-4-7-19(26-20)15-5-3-6-16(13-15)25-24(28)22-11-12-23(33-22)27(29)30/h3-14H,1-2H3,(H,25,28)
InChIKeyXRBGXBFIRYOFPV-UHFFFAOYSA-N
XLogP5.19
TPSA116.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.43
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide (CID 44522186) is N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide is COc1ccc(OC)c(-c2cccc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3)n2)c1.
What is the InChIKey of N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide?
The InChIKey is XRBGXBFIRYOFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O6/c1-31-17-9-10-21(32-2)18(14-17)20-8-4-7-19(26-20)15-5-3-6-16(13-15)25-24(28)22-11-12-23(33-22)27(29)30/h3-14H,1-2H3,(H,25,28).
What are the key properties of N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide?
N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide has a molecular weight of 445.43 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 44522186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).