N,N-diethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide

C13H20N4O2 — CID 59751877

IUPACN,N-diethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide
SMILESCCN(CC)C(=O)Cc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C13H20N4O2/c1-3-17(4-2)11(18)8-10-12-9(6-5-7-14-12)13(19)16-15-10/h14H,3-8H2,1-2H3,(H,16,19)
InChIKeyLXMRMWLTJKSUKE-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.54
Rot. Bonds4

About N,N-diethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide

N,N-diethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide (PubChem CID 59751877) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N,N-diethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide
PubChem CID59751877
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN,N-diethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide
SMILESCCN(CC)C(=O)Cc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C13H20N4O2/c1-3-17(4-2)11(18)8-10-12-9(6-5-7-14-12)13(19)16-15-10/h14H,3-8H2,1-2H3,(H,16,19)
InChIKeyLXMRMWLTJKSUKE-UHFFFAOYSA-N
XLogP0.54
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide (CID 59751877) is N,N-diethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide is CCN(CC)C(=O)Cc1n[nH]c(=O)c2c1NCCC2.
What is the InChIKey of N,N-diethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide?
The InChIKey is LXMRMWLTJKSUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-17(4-2)11(18)8-10-12-9(6-5-7-14-12)13(19)16-15-10/h14H,3-8H2,1-2H3,(H,16,19).
What are the key properties of N,N-diethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide?
N,N-diethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide has a molecular weight of 264.33 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide is sourced from PubChem (CID 59751877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).