N-(oxan-4-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide

C14H20N4O3 — CID 103218132

IUPACN-(oxan-4-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)NCCC2)NC1CCOCC1
InChIInChI=1S/C14H20N4O3/c19-13(16-10-3-6-21-7-4-10)9-18-14(20)8-12-11(17-18)2-1-5-15-12/h8,10,15H,1-7,9H2,(H,16,19)
InChIKeyKZHJIFNABQDRNF-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.10
Rot. Bonds3

About N-(oxan-4-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide

N-(oxan-4-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide (PubChem CID 103218132) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide
PubChem CID103218132
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-(oxan-4-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)NCCC2)NC1CCOCC1
InChIInChI=1S/C14H20N4O3/c19-13(16-10-3-6-21-7-4-10)9-18-14(20)8-12-11(17-18)2-1-5-15-12/h8,10,15H,1-7,9H2,(H,16,19)
InChIKeyKZHJIFNABQDRNF-UHFFFAOYSA-N
XLogP-0.10
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide?
The IUPAC name of N-(oxan-4-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide (CID 103218132) is N-(oxan-4-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide is O=C(Cn1nc2c(cc1=O)NCCC2)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide?
The InChIKey is KZHJIFNABQDRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-13(16-10-3-6-21-7-4-10)9-18-14(20)8-12-11(17-18)2-1-5-15-12/h8,10,15H,1-7,9H2,(H,16,19).
What are the key properties of N-(oxan-4-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide?
N-(oxan-4-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide has a molecular weight of 292.34 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-2-yl)acetamide is sourced from PubChem (CID 103218132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).