N-[2-(oxan-4-yl)prop-2-enyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

C25H25N3O3 — CID 166333116

IUPACN-[2-(oxan-4-yl)prop-2-enyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESC=C(CNC(=O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O)C1CCOCC1
InChIInChI=1S/C25H25N3O3/c1-17(18-12-14-31-15-13-18)16-26-24(29)22-21(19-8-4-2-5-9-19)23(27-28-25(22)30)20-10-6-3-7-11-20/h2-11,18H,1,12-16H2,(H,26,29)(H,28,30)
InChIKeyDQTUVIRWKCPJOG-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.82
Rot. Bonds6

About N-[2-(oxan-4-yl)prop-2-enyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

N-[2-(oxan-4-yl)prop-2-enyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (PubChem CID 166333116) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[2-(oxan-4-yl)prop-2-enyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(oxan-4-yl)prop-2-enyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
PubChem CID166333116
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[2-(oxan-4-yl)prop-2-enyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESC=C(CNC(=O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O)C1CCOCC1
InChIInChI=1S/C25H25N3O3/c1-17(18-12-14-31-15-13-18)16-26-24(29)22-21(19-8-4-2-5-9-19)23(27-28-25(22)30)20-10-6-3-7-11-20/h2-11,18H,1,12-16H2,(H,26,29)(H,28,30)
InChIKeyDQTUVIRWKCPJOG-UHFFFAOYSA-N
XLogP3.82
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-4-yl)prop-2-enyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[2-(oxan-4-yl)prop-2-enyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (CID 166333116) is N-[2-(oxan-4-yl)prop-2-enyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[2-(oxan-4-yl)prop-2-enyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[2-(oxan-4-yl)prop-2-enyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is C=C(CNC(=O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O)C1CCOCC1.
What is the InChIKey of N-[2-(oxan-4-yl)prop-2-enyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The InChIKey is DQTUVIRWKCPJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17(18-12-14-31-15-13-18)16-26-24(29)22-21(19-8-4-2-5-9-19)23(27-28-25(22)30)20-10-6-3-7-11-20/h2-11,18H,1,12-16H2,(H,26,29)(H,28,30).
What are the key properties of N-[2-(oxan-4-yl)prop-2-enyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
N-[2-(oxan-4-yl)prop-2-enyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-4-yl)prop-2-enyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 166333116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).