(4Z)-4-[[2-[(5-nitro-2-pyridinyl)oxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione

C25H16N4O5 — CID 6301106

IUPAC(4Z)-4-[[2-[(5-nitro-2-pyridinyl)oxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
SMILESO=C1NN(c2ccccc2)C(=O)/C1=C\c1c(Oc2ccc([N+](=O)[O-])cn2)ccc2ccccc12
InChIInChI=1S/C25H16N4O5/c30-24-21(25(31)28(27-24)17-7-2-1-3-8-17)14-20-19-9-5-4-6-16(19)10-12-22(20)34-23-13-11-18(15-26-23)29(32)33/h1-15H,(H,27,30)/b21-14-
InChIKeyYMOPQUGLTXYQPR-STZFKDTASA-N
MW452.43 g/mol
LogP4.40
Rot. Bonds5

About (4Z)-4-[[2-[(5-nitro-2-pyridinyl)oxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione

(4Z)-4-[[2-[(5-nitro-2-pyridinyl)oxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione (PubChem CID 6301106) has the molecular formula C25H16N4O5 and a molecular weight of 452.43 g/mol. Its IUPAC name is (4Z)-4-[[2-[(5-nitro-2-pyridinyl)oxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name(4Z)-4-[[2-[(5-nitro-2-pyridinyl)oxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
PubChem CID6301106
Molecular FormulaC25H16N4O5
Molecular Weight452.43 g/mol
Exact Mass452.11
IUPAC Name(4Z)-4-[[2-[(5-nitro-2-pyridinyl)oxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
SMILESO=C1NN(c2ccccc2)C(=O)/C1=C\c1c(Oc2ccc([N+](=O)[O-])cn2)ccc2ccccc12
InChIInChI=1S/C25H16N4O5/c30-24-21(25(31)28(27-24)17-7-2-1-3-8-17)14-20-19-9-5-4-6-16(19)10-12-22(20)34-23-13-11-18(15-26-23)29(32)33/h1-15H,(H,27,30)/b21-14-
InChIKeyYMOPQUGLTXYQPR-STZFKDTASA-N
XLogP4.40
TPSA114.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_D(46)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-[[3-ethoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 126206488
(4Z)-4-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 126412036
(4Z)-4-[[3,5-diiodo-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 126406018
(4E)-4-[[3-methoxy-2-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 6309285
(4Z)-4-[[3-ethoxy-4-[(5-nitro-2-pyridinyl)oxy]-5-prop-2-enylphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 124549783
(4Z)-1-phenyl-4-[(2-phenylmethoxynaphthalen-1-yl)methylidene]pyrazolidine-3,5-dione
CID 126403066
(4Z)-4-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]-5-prop-2-enylphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 124548925
4-[[2-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 4018796
4-[[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 3541278
(4Z)-4-[[2-[(2R)-butan-2-yl]oxynaphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 124551057
(4Z)-4-[(4-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 2247653
4-[[2-[2-(2-chlorophenoxy)ethoxy]-5-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 2905356

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[2-[(5-nitro-2-pyridinyl)oxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione?
The IUPAC name of (4Z)-4-[[2-[(5-nitro-2-pyridinyl)oxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione (CID 6301106) is (4Z)-4-[[2-[(5-nitro-2-pyridinyl)oxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione.
What is the SMILES notation for (4Z)-4-[[2-[(5-nitro-2-pyridinyl)oxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione?
The canonical SMILES for (4Z)-4-[[2-[(5-nitro-2-pyridinyl)oxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione is O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(Oc2ccc([N+](=O)[O-])cn2)ccc2ccccc12.
What is the InChIKey of (4Z)-4-[[2-[(5-nitro-2-pyridinyl)oxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione?
The InChIKey is YMOPQUGLTXYQPR-STZFKDTASA-N. The full InChI is InChI=1S/C25H16N4O5/c30-24-21(25(31)28(27-24)17-7-2-1-3-8-17)14-20-19-9-5-4-6-16(19)10-12-22(20)34-23-13-11-18(15-26-23)29(32)33/h1-15H,(H,27,30)/b21-14-.
What are the key properties of (4Z)-4-[[2-[(5-nitro-2-pyridinyl)oxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione?
(4Z)-4-[[2-[(5-nitro-2-pyridinyl)oxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione has a molecular weight of 452.43 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[2-[(5-nitro-2-pyridinyl)oxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione is sourced from PubChem (CID 6301106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).