N-[3-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)amino]propyl]propanamide

C13H17N5O2 — CID 22343202

IUPACN-[3-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)amino]propyl]propanamide
SMILESCCC(=O)NCCCNc1n[nH]c(=O)c2cccnc12
InChIInChI=1S/C13H17N5O2/c1-2-10(19)14-7-4-8-16-12-11-9(5-3-6-15-11)13(20)18-17-12/h3,5-6H,2,4,7-8H2,1H3,(H,14,19)(H,16,17)(H,18,20)
InChIKeyLAGQXSCCMDESCK-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.65
Rot. Bonds6

About N-[3-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)amino]propyl]propanamide

N-[3-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)amino]propyl]propanamide (PubChem CID 22343202) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[3-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)amino]propyl]propanamide.

Molecular Properties

Compound NameN-[3-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)amino]propyl]propanamide
PubChem CID22343202
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[3-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)amino]propyl]propanamide
SMILESCCC(=O)NCCCNc1n[nH]c(=O)c2cccnc12
InChIInChI=1S/C13H17N5O2/c1-2-10(19)14-7-4-8-16-12-11-9(5-3-6-15-11)13(20)18-17-12/h3,5-6H,2,4,7-8H2,1H3,(H,14,19)(H,16,17)(H,18,20)
InChIKeyLAGQXSCCMDESCK-UHFFFAOYSA-N
XLogP0.65
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)amino]propyl]propanamide?
The IUPAC name of N-[3-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)amino]propyl]propanamide (CID 22343202) is N-[3-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)amino]propyl]propanamide.
What is the SMILES notation for N-[3-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)amino]propyl]propanamide?
The canonical SMILES for N-[3-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)amino]propyl]propanamide is CCC(=O)NCCCNc1n[nH]c(=O)c2cccnc12.
What is the InChIKey of N-[3-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)amino]propyl]propanamide?
The InChIKey is LAGQXSCCMDESCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-10(19)14-7-4-8-16-12-11-9(5-3-6-15-11)13(20)18-17-12/h3,5-6H,2,4,7-8H2,1H3,(H,14,19)(H,16,17)(H,18,20).
What are the key properties of N-[3-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)amino]propyl]propanamide?
N-[3-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)amino]propyl]propanamide has a molecular weight of 275.31 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)amino]propyl]propanamide is sourced from PubChem (CID 22343202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).