2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide

C17H22N4O2 — CID 56896037

IUPAC2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1ncc(N(C)Cc2ccccc2)cc1=O
InChIInChI=1S/C17H22N4O2/c1-13(2)19-16(22)12-21-17(23)9-15(10-18-21)20(3)11-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,19,22)
InChIKeyIXNZIAUSLBZUIP-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.40
Rot. Bonds6

About 2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide

2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 56896037) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
PubChem CID56896037
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1ncc(N(C)Cc2ccccc2)cc1=O
InChIInChI=1S/C17H22N4O2/c1-13(2)19-16(22)12-21-17(23)9-15(10-18-21)20(3)11-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,19,22)
InChIKeyIXNZIAUSLBZUIP-UHFFFAOYSA-N
XLogP1.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide (CID 56896037) is 2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1ncc(N(C)Cc2ccccc2)cc1=O.
What is the InChIKey of 2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is IXNZIAUSLBZUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13(2)19-16(22)12-21-17(23)9-15(10-18-21)20(3)11-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,19,22).
What are the key properties of 2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 314.39 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzyl(methyl)amino]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 56896037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).