N-(1-acetylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide

C13H18N4O3 — CID 47114515

IUPACN-(1-acetylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C13H18N4O3/c1-9(18)17-7-5-10(6-8-17)14-13(20)11-3-4-12(19)16(2)15-11/h3-4,10H,5-8H2,1-2H3,(H,14,20)
InChIKeyWUEYIXYBOTUQLN-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.48
Rot. Bonds2

About N-(1-acetylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide

N-(1-acetylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 47114515) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID47114515
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-(1-acetylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C13H18N4O3/c1-9(18)17-7-5-10(6-8-17)14-13(20)11-3-4-12(19)16(2)15-11/h3-4,10H,5-8H2,1-2H3,(H,14,20)
InChIKeyWUEYIXYBOTUQLN-UHFFFAOYSA-N
XLogP-0.48
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 47114515) is N-(1-acetylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide is CC(=O)N1CCC(NC(=O)c2ccc(=O)n(C)n2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is WUEYIXYBOTUQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-9(18)17-7-5-10(6-8-17)14-13(20)11-3-4-12(19)16(2)15-11/h3-4,10H,5-8H2,1-2H3,(H,14,20).
What are the key properties of N-(1-acetylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(1-acetylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 47114515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).