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

C11H16N4O2 — CID 59751909

IUPACN-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]propanamide
SMILESCCC(=O)NCc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C11H16N4O2/c1-2-9(16)13-6-8-10-7(4-3-5-12-10)11(17)15-14-8/h12H,2-6H2,1H3,(H,13,16)(H,15,17)
InChIKeyJGCVKZOMQMIEOQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.15
Rot. Bonds3

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

N-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]propanamide (PubChem CID 59751909) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]propanamide
PubChem CID59751909
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]propanamide
SMILESCCC(=O)NCc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C11H16N4O2/c1-2-9(16)13-6-8-10-7(4-3-5-12-10)11(17)15-14-8/h12H,2-6H2,1H3,(H,13,16)(H,15,17)
InChIKeyJGCVKZOMQMIEOQ-UHFFFAOYSA-N
XLogP0.15
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]propanamide?
The IUPAC name of N-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]propanamide (CID 59751909) is N-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]propanamide.
What is the SMILES notation for N-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]propanamide?
The canonical SMILES for N-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]propanamide is CCC(=O)NCc1n[nH]c(=O)c2c1NCCC2.
What is the InChIKey of N-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]propanamide?
The InChIKey is JGCVKZOMQMIEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-9(16)13-6-8-10-7(4-3-5-12-10)11(17)15-14-8/h12H,2-6H2,1H3,(H,13,16)(H,15,17).
What are the key properties of N-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]propanamide?
N-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]propanamide has a molecular weight of 236.27 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]propanamide is sourced from PubChem (CID 59751909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).