N-[3-(cyanomethyl)cyclobutyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

C23H20N4O2 — CID 166333039

IUPACN-[3-(cyanomethyl)cyclobutyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESN#CCC1CC(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)C1
InChIInChI=1S/C23H20N4O2/c24-12-11-15-13-18(14-15)25-22(28)20-19(16-7-3-1-4-8-16)21(26-27-23(20)29)17-9-5-2-6-10-17/h1-10,15,18H,11,13-14H2,(H,25,28)(H,27,29)
InChIKeyDBUJZCBKMWZPJC-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.53
Rot. Bonds5

About N-[3-(cyanomethyl)cyclobutyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

N-[3-(cyanomethyl)cyclobutyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (PubChem CID 166333039) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[3-(cyanomethyl)cyclobutyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(cyanomethyl)cyclobutyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
PubChem CID166333039
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-[3-(cyanomethyl)cyclobutyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESN#CCC1CC(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)C1
InChIInChI=1S/C23H20N4O2/c24-12-11-15-13-18(14-15)25-22(28)20-19(16-7-3-1-4-8-16)21(26-27-23(20)29)17-9-5-2-6-10-17/h1-10,15,18H,11,13-14H2,(H,25,28)(H,27,29)
InChIKeyDBUJZCBKMWZPJC-UHFFFAOYSA-N
XLogP3.53
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethyl)cyclobutyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[3-(cyanomethyl)cyclobutyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (CID 166333039) is N-[3-(cyanomethyl)cyclobutyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[3-(cyanomethyl)cyclobutyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[3-(cyanomethyl)cyclobutyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is N#CCC1CC(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)C1.
What is the InChIKey of N-[3-(cyanomethyl)cyclobutyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The InChIKey is DBUJZCBKMWZPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c24-12-11-15-13-18(14-15)25-22(28)20-19(16-7-3-1-4-8-16)21(26-27-23(20)29)17-9-5-2-6-10-17/h1-10,15,18H,11,13-14H2,(H,25,28)(H,27,29).
What are the key properties of N-[3-(cyanomethyl)cyclobutyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
N-[3-(cyanomethyl)cyclobutyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethyl)cyclobutyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 166333039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).