N-[(Z)-(4,6-dioxo-3-phenyl-1H-pyridazin-5-ylidene)methyl]-N-phenylacetamide

C19H15N3O3 — CID 110272679

IUPACN-[(Z)-(4,6-dioxo-3-phenyl-1H-pyridazin-5-ylidene)methyl]-N-phenylacetamide
SMILESCC(=O)N(/C=C1\C(=O)NN=C(c2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C19H15N3O3/c1-13(23)22(15-10-6-3-7-11-15)12-16-18(24)17(20-21-19(16)25)14-8-4-2-5-9-14/h2-12H,1H3,(H,21,25)/b16-12-
InChIKeyFZXQLFHGWSQRTI-VBKFSLOCSA-N
MW333.35 g/mol
LogP2.03
Rot. Bonds3

About N-[(Z)-(4,6-dioxo-3-phenyl-1H-pyridazin-5-ylidene)methyl]-N-phenylacetamide

N-[(Z)-(4,6-dioxo-3-phenyl-1H-pyridazin-5-ylidene)methyl]-N-phenylacetamide (PubChem CID 110272679) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[(Z)-(4,6-dioxo-3-phenyl-1H-pyridazin-5-ylidene)methyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(Z)-(4,6-dioxo-3-phenyl-1H-pyridazin-5-ylidene)methyl]-N-phenylacetamide
PubChem CID110272679
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC NameN-[(Z)-(4,6-dioxo-3-phenyl-1H-pyridazin-5-ylidene)methyl]-N-phenylacetamide
SMILESCC(=O)N(/C=C1\C(=O)NN=C(c2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C19H15N3O3/c1-13(23)22(15-10-6-3-7-11-15)12-16-18(24)17(20-21-19(16)25)14-8-4-2-5-9-14/h2-12H,1H3,(H,21,25)/b16-12-
InChIKeyFZXQLFHGWSQRTI-VBKFSLOCSA-N
XLogP2.03
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4,6-dioxo-3-phenyl-1H-pyridazin-5-ylidene)methyl]-N-phenylacetamide?
The IUPAC name of N-[(Z)-(4,6-dioxo-3-phenyl-1H-pyridazin-5-ylidene)methyl]-N-phenylacetamide (CID 110272679) is N-[(Z)-(4,6-dioxo-3-phenyl-1H-pyridazin-5-ylidene)methyl]-N-phenylacetamide.
What is the SMILES notation for N-[(Z)-(4,6-dioxo-3-phenyl-1H-pyridazin-5-ylidene)methyl]-N-phenylacetamide?
The canonical SMILES for N-[(Z)-(4,6-dioxo-3-phenyl-1H-pyridazin-5-ylidene)methyl]-N-phenylacetamide is CC(=O)N(/C=C1\C(=O)NN=C(c2ccccc2)C1=O)c1ccccc1.
What is the InChIKey of N-[(Z)-(4,6-dioxo-3-phenyl-1H-pyridazin-5-ylidene)methyl]-N-phenylacetamide?
The InChIKey is FZXQLFHGWSQRTI-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-13(23)22(15-10-6-3-7-11-15)12-16-18(24)17(20-21-19(16)25)14-8-4-2-5-9-14/h2-12H,1H3,(H,21,25)/b16-12-.
What are the key properties of N-[(Z)-(4,6-dioxo-3-phenyl-1H-pyridazin-5-ylidene)methyl]-N-phenylacetamide?
N-[(Z)-(4,6-dioxo-3-phenyl-1H-pyridazin-5-ylidene)methyl]-N-phenylacetamide has a molecular weight of 333.35 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4,6-dioxo-3-phenyl-1H-pyridazin-5-ylidene)methyl]-N-phenylacetamide is sourced from PubChem (CID 110272679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).