N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

C27H22N4O2 — CID 6871114

IUPACN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESCC(/C=N/NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O)=C\c1ccccc1
InChIInChI=1S/C27H22N4O2/c1-19(17-20-11-5-2-6-12-20)18-28-30-26(32)24-23(21-13-7-3-8-14-21)25(29-31-27(24)33)22-15-9-4-10-16-22/h2-18H,1H3,(H,30,32)(H,31,33)/b19-17+,28-18+
InChIKeyQGGLEAVOJUCKBO-VPNXXENTSA-N
MW434.50 g/mol
LogP4.92
Rot. Bonds6

About N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (PubChem CID 6871114) has the molecular formula C27H22N4O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
PubChem CID6871114
Molecular FormulaC27H22N4O2
Molecular Weight434.50 g/mol
Exact Mass434.17
IUPAC NameN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESCC(/C=N/NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O)=C\c1ccccc1
InChIInChI=1S/C27H22N4O2/c1-19(17-20-11-5-2-6-12-20)18-28-30-26(32)24-23(21-13-7-3-8-14-21)25(29-31-27(24)33)22-15-9-4-10-16-22/h2-18H,1H3,(H,30,32)(H,31,33)/b19-17+,28-18+
InChIKeyQGGLEAVOJUCKBO-VPNXXENTSA-N
XLogP4.92
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (CID 6871114) is N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is CC(/C=N/NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O)=C\c1ccccc1.
What is the InChIKey of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The InChIKey is QGGLEAVOJUCKBO-VPNXXENTSA-N. The full InChI is InChI=1S/C27H22N4O2/c1-19(17-20-11-5-2-6-12-20)18-28-30-26(32)24-23(21-13-7-3-8-14-21)25(29-31-27(24)33)22-15-9-4-10-16-22/h2-18H,1H3,(H,30,32)(H,31,33)/b19-17+,28-18+.
What are the key properties of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 6871114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).