2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide

C14H22N4O4 — CID 45212637

IUPAC2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide
SMILESCN(CC1COCCO1)C(=O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C14H22N4O4/c1-16(2)11-6-13(19)18(15-7-11)9-14(20)17(3)8-12-10-21-4-5-22-12/h6-7,12H,4-5,8-10H2,1-3H3
InChIKeyZRKSUELXXNSBDJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP-0.82
Rot. Bonds5

About 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide

2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide (PubChem CID 45212637) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide
PubChem CID45212637
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Name2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide
SMILESCN(CC1COCCO1)C(=O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C14H22N4O4/c1-16(2)11-6-13(19)18(15-7-11)9-14(20)17(3)8-12-10-21-4-5-22-12/h6-7,12H,4-5,8-10H2,1-3H3
InChIKeyZRKSUELXXNSBDJ-UHFFFAOYSA-N
XLogP-0.82
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide (CID 45212637) is 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide is CN(CC1COCCO1)C(=O)Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide?
The InChIKey is ZRKSUELXXNSBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-16(2)11-6-13(19)18(15-7-11)9-14(20)17(3)8-12-10-21-4-5-22-12/h6-7,12H,4-5,8-10H2,1-3H3.
What are the key properties of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide?
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide has a molecular weight of 310.35 g/mol, XLogP of -0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 45212637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).