N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]pyridazine-3-carboxamide

C20H17N3O2 — CID 166631781

IUPACN-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]pyridazine-3-carboxamide
SMILESCOc1ccc(/C=C/c2ccccc2NC(=O)c2cccnn2)cc1
InChIInChI=1S/C20H17N3O2/c1-25-17-12-9-15(10-13-17)8-11-16-5-2-3-6-18(16)22-20(24)19-7-4-14-21-23-19/h2-14H,1H3,(H,22,24)/b11-8+
InChIKeySOZHMBXAGKPKNQ-DHZHZOJOSA-N
MW331.38 g/mol
LogP3.91
Rot. Bonds5

About N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]pyridazine-3-carboxamide

N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]pyridazine-3-carboxamide (PubChem CID 166631781) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]pyridazine-3-carboxamide
PubChem CID166631781
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]pyridazine-3-carboxamide
SMILESCOc1ccc(/C=C/c2ccccc2NC(=O)c2cccnn2)cc1
InChIInChI=1S/C20H17N3O2/c1-25-17-12-9-15(10-13-17)8-11-16-5-2-3-6-18(16)22-20(24)19-7-4-14-21-23-19/h2-14H,1H3,(H,22,24)/b11-8+
InChIKeySOZHMBXAGKPKNQ-DHZHZOJOSA-N
XLogP3.91
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]pyridazine-3-carboxamide?
The IUPAC name of N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]pyridazine-3-carboxamide (CID 166631781) is N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]pyridazine-3-carboxamide?
The canonical SMILES for N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]pyridazine-3-carboxamide is COc1ccc(/C=C/c2ccccc2NC(=O)c2cccnn2)cc1.
What is the InChIKey of N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]pyridazine-3-carboxamide?
The InChIKey is SOZHMBXAGKPKNQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-25-17-12-9-15(10-13-17)8-11-16-5-2-3-6-18(16)22-20(24)19-7-4-14-21-23-19/h2-14H,1H3,(H,22,24)/b11-8+.
What are the key properties of N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]pyridazine-3-carboxamide?
N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]pyridazine-3-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 166631781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).