N,N-diethyl-4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzamide

C19H20N4O2 — CID 162534278

IUPACN,N-diethyl-4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(Cc2n[nH]c(=O)c3cccnc23)cc1
InChIInChI=1S/C19H20N4O2/c1-3-23(4-2)19(25)14-9-7-13(8-10-14)12-16-17-15(6-5-11-20-17)18(24)22-21-16/h5-11H,3-4,12H2,1-2H3,(H,22,24)
InChIKeySZULVQPGYQTVTN-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.39
Rot. Bonds5

About N,N-diethyl-4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzamide

N,N-diethyl-4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzamide (PubChem CID 162534278) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N,N-diethyl-4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzamide
PubChem CID162534278
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN,N-diethyl-4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(Cc2n[nH]c(=O)c3cccnc23)cc1
InChIInChI=1S/C19H20N4O2/c1-3-23(4-2)19(25)14-9-7-13(8-10-14)12-16-17-15(6-5-11-20-17)18(24)22-21-16/h5-11H,3-4,12H2,1-2H3,(H,22,24)
InChIKeySZULVQPGYQTVTN-UHFFFAOYSA-N
XLogP2.39
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzamide (CID 162534278) is N,N-diethyl-4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzamide is CCN(CC)C(=O)c1ccc(Cc2n[nH]c(=O)c3cccnc23)cc1.
What is the InChIKey of N,N-diethyl-4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzamide?
The InChIKey is SZULVQPGYQTVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-23(4-2)19(25)14-9-7-13(8-10-14)12-16-17-15(6-5-11-20-17)18(24)22-21-16/h5-11H,3-4,12H2,1-2H3,(H,22,24).
What are the key properties of N,N-diethyl-4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzamide?
N,N-diethyl-4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzamide has a molecular weight of 336.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzamide is sourced from PubChem (CID 162534278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).