N-[3-cyano-6-[2-(methoxymethoxy)phenyl]-5-methyl-4-(3-nitrophenyl)-2-pyridinyl]furan-2-carboxamide

C26H20N4O6 — CID 68954979

IUPACN-[3-cyano-6-[2-(methoxymethoxy)phenyl]-5-methyl-4-(3-nitrophenyl)-2-pyridinyl]furan-2-carboxamide
SMILESCOCOc1ccccc1-c1nc(NC(=O)c2ccco2)c(C#N)c(-c2cccc([N+](=O)[O-])c2)c1C
InChIInChI=1S/C26H20N4O6/c1-16-23(17-7-5-8-18(13-17)30(32)33)20(14-27)25(29-26(31)22-11-6-12-35-22)28-24(16)19-9-3-4-10-21(19)36-15-34-2/h3-13H,15H2,1-2H3,(H,28,29,31)
InChIKeyAWZMQVMLXLABDC-UHFFFAOYSA-N
MW484.47 g/mol
LogP5.33
Rot. Bonds8

About N-[3-cyano-6-[2-(methoxymethoxy)phenyl]-5-methyl-4-(3-nitrophenyl)-2-pyridinyl]furan-2-carboxamide

N-[3-cyano-6-[2-(methoxymethoxy)phenyl]-5-methyl-4-(3-nitrophenyl)-2-pyridinyl]furan-2-carboxamide (PubChem CID 68954979) has the molecular formula C26H20N4O6 and a molecular weight of 484.47 g/mol. Its IUPAC name is N-[3-cyano-6-[2-(methoxymethoxy)phenyl]-5-methyl-4-(3-nitrophenyl)-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-6-[2-(methoxymethoxy)phenyl]-5-methyl-4-(3-nitrophenyl)-2-pyridinyl]furan-2-carboxamide
PubChem CID68954979
Molecular FormulaC26H20N4O6
Molecular Weight484.47 g/mol
Exact Mass484.14
IUPAC NameN-[3-cyano-6-[2-(methoxymethoxy)phenyl]-5-methyl-4-(3-nitrophenyl)-2-pyridinyl]furan-2-carboxamide
SMILESCOCOc1ccccc1-c1nc(NC(=O)c2ccco2)c(C#N)c(-c2cccc([N+](=O)[O-])c2)c1C
InChIInChI=1S/C26H20N4O6/c1-16-23(17-7-5-8-18(13-17)30(32)33)20(14-27)25(29-26(31)22-11-6-12-35-22)28-24(16)19-9-3-4-10-21(19)36-15-34-2/h3-13H,15H2,1-2H3,(H,28,29,31)
InChIKeyAWZMQVMLXLABDC-UHFFFAOYSA-N
XLogP5.33
TPSA140.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.47
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[3-cyano-6-[2-(methoxymethoxy)phenyl]-5-methyl-4-(3-nitrophenyl)-2-pyridinyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[6-[4-chloro-2-(methoxymethoxy)phenyl]-3-cyano-4-(3-nitrophenyl)-2-pyridinyl]furan-2-carboxamide
CID 68956285
N-[3-cyano-4-methylsulfinyl-6-(2-phenylmethoxyphenyl)-2-pyridinyl]furan-2-carboxamide
CID 68955144
[3-[2-amino-3-cyano-6-[2-(methoxymethoxy)phenyl]-4-pyridinyl]phenyl]methyliminomethylcarbamic acid
CID 69279537
N-[4-(3-aminophenyl)-6-[4-chloro-2-(methoxymethoxy)phenyl]-3-cyano-2-pyridinyl]-1,2-oxazole-5-carboxamide
CID 68953110
3-O-(2-methoxyethyl) 5-O-(3-phenylpropyl) 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
CID 139592469
3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-[(2-methoxybenzoyl)amino]-4-pyridinyl]benzoic acid
CID 68957967
N-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide
CID 7965625
2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5230184
N-[5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1208686
5,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 139215856
[2-(furan-2-carbonylamino)-3-pyridinyl] furan-2-carboxylate
CID 17018639
methyl 2-(3-nitrophenyl)benzoate
CID 11708670

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-6-[2-(methoxymethoxy)phenyl]-5-methyl-4-(3-nitrophenyl)-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[3-cyano-6-[2-(methoxymethoxy)phenyl]-5-methyl-4-(3-nitrophenyl)-2-pyridinyl]furan-2-carboxamide (CID 68954979) is N-[3-cyano-6-[2-(methoxymethoxy)phenyl]-5-methyl-4-(3-nitrophenyl)-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-cyano-6-[2-(methoxymethoxy)phenyl]-5-methyl-4-(3-nitrophenyl)-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[3-cyano-6-[2-(methoxymethoxy)phenyl]-5-methyl-4-(3-nitrophenyl)-2-pyridinyl]furan-2-carboxamide is COCOc1ccccc1-c1nc(NC(=O)c2ccco2)c(C#N)c(-c2cccc([N+](=O)[O-])c2)c1C.
What is the InChIKey of N-[3-cyano-6-[2-(methoxymethoxy)phenyl]-5-methyl-4-(3-nitrophenyl)-2-pyridinyl]furan-2-carboxamide?
The InChIKey is AWZMQVMLXLABDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O6/c1-16-23(17-7-5-8-18(13-17)30(32)33)20(14-27)25(29-26(31)22-11-6-12-35-22)28-24(16)19-9-3-4-10-21(19)36-15-34-2/h3-13H,15H2,1-2H3,(H,28,29,31).
What are the key properties of N-[3-cyano-6-[2-(methoxymethoxy)phenyl]-5-methyl-4-(3-nitrophenyl)-2-pyridinyl]furan-2-carboxamide?
N-[3-cyano-6-[2-(methoxymethoxy)phenyl]-5-methyl-4-(3-nitrophenyl)-2-pyridinyl]furan-2-carboxamide has a molecular weight of 484.47 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-6-[2-(methoxymethoxy)phenyl]-5-methyl-4-(3-nitrophenyl)-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 68954979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).