2-(benzhydrylamino)-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide

C23H22N4O3 — CID 24561907

IUPAC2-(benzhydrylamino)-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide
SMILESCc1n[nH]c(=O)c2c(NC(=O)CNC(c3ccccc3)c3ccccc3)oc(C)c12
InChIInChI=1S/C23H22N4O3/c1-14-19-15(2)30-23(20(19)22(29)27-26-14)25-18(28)13-24-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,21,24H,13H2,1-2H3,(H,25,28)(H,27,29)
InChIKeyQVBDKONSMJLZIK-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.45
Rot. Bonds6

About 2-(benzhydrylamino)-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide

2-(benzhydrylamino)-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide (PubChem CID 24561907) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-(benzhydrylamino)-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide.

Molecular Properties

Compound Name2-(benzhydrylamino)-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide
PubChem CID24561907
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-(benzhydrylamino)-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide
SMILESCc1n[nH]c(=O)c2c(NC(=O)CNC(c3ccccc3)c3ccccc3)oc(C)c12
InChIInChI=1S/C23H22N4O3/c1-14-19-15(2)30-23(20(19)22(29)27-26-14)25-18(28)13-24-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,21,24H,13H2,1-2H3,(H,25,28)(H,27,29)
InChIKeyQVBDKONSMJLZIK-UHFFFAOYSA-N
XLogP3.45
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide?
The IUPAC name of 2-(benzhydrylamino)-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide (CID 24561907) is 2-(benzhydrylamino)-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide.
What is the SMILES notation for 2-(benzhydrylamino)-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide?
The canonical SMILES for 2-(benzhydrylamino)-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide is Cc1n[nH]c(=O)c2c(NC(=O)CNC(c3ccccc3)c3ccccc3)oc(C)c12.
What is the InChIKey of 2-(benzhydrylamino)-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide?
The InChIKey is QVBDKONSMJLZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-14-19-15(2)30-23(20(19)22(29)27-26-14)25-18(28)13-24-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,21,24H,13H2,1-2H3,(H,25,28)(H,27,29).
What are the key properties of 2-(benzhydrylamino)-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide?
2-(benzhydrylamino)-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide has a molecular weight of 402.45 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide is sourced from PubChem (CID 24561907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).