N-(2-cyano-4-nitrophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide

C19H15N5O5 — CID 121076332

IUPACN-(2-cyano-4-nitrophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc([N+](=O)[O-])cc1C#N)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C19H15N5O5/c1-19(2,23-17(25)8-7-15(22-23)16-4-3-9-29-16)18(26)21-14-6-5-13(24(27)28)10-12(14)11-20/h3-10H,1-2H3,(H,21,26)
InChIKeyLHMSFJSVUJKCHA-UHFFFAOYSA-N
MW393.36 g/mol
LogP2.66
Rot. Bonds5

About N-(2-cyano-4-nitrophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide

N-(2-cyano-4-nitrophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide (PubChem CID 121076332) has the molecular formula C19H15N5O5 and a molecular weight of 393.36 g/mol. Its IUPAC name is N-(2-cyano-4-nitrophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyano-4-nitrophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
PubChem CID121076332
Molecular FormulaC19H15N5O5
Molecular Weight393.36 g/mol
Exact Mass393.11
IUPAC NameN-(2-cyano-4-nitrophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc([N+](=O)[O-])cc1C#N)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C19H15N5O5/c1-19(2,23-17(25)8-7-15(22-23)16-4-3-9-29-16)18(26)21-14-6-5-13(24(27)28)10-12(14)11-20/h3-10H,1-2H3,(H,21,26)
InChIKeyLHMSFJSVUJKCHA-UHFFFAOYSA-N
XLogP2.66
TPSA144.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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Related Compounds

2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(3-nitrophenyl)propanamide
CID 121076257
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-phenylphenyl)propanamide
CID 121076322
N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076279
N-(2-cyano-4-nitrophenyl)-2,2-dimethylpropanamide
CID 23826376
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-pyridin-2-ylpropanamide
CID 121076263
N-(4-anilinophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076379
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(3-methylsulfanylphenyl)propanamide
CID 121076395
N-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076255
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 121076284
N-(2-cyano-4-nitrophenyl)-2-methoxy-2-methylpropanamide
CID 103028928
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 121076381
3-amino-N-(2-cyano-4-nitrophenyl)-2,2-dimethylpropanamide
CID 115426279

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-nitrophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide?
The IUPAC name of N-(2-cyano-4-nitrophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide (CID 121076332) is N-(2-cyano-4-nitrophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide.
What is the SMILES notation for N-(2-cyano-4-nitrophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide?
The canonical SMILES for N-(2-cyano-4-nitrophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide is CC(C)(C(=O)Nc1ccc([N+](=O)[O-])cc1C#N)n1nc(-c2ccco2)ccc1=O.
What is the InChIKey of N-(2-cyano-4-nitrophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide?
The InChIKey is LHMSFJSVUJKCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O5/c1-19(2,23-17(25)8-7-15(22-23)16-4-3-9-29-16)18(26)21-14-6-5-13(24(27)28)10-12(14)11-20/h3-10H,1-2H3,(H,21,26).
What are the key properties of N-(2-cyano-4-nitrophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide?
N-(2-cyano-4-nitrophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide has a molecular weight of 393.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-nitrophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide is sourced from PubChem (CID 121076332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).