4-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]pentanamide

C16H26N4O2 — CID 91924027

IUPAC4-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]pentanamide
SMILESCC(C)CCC(=O)NC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C16H26N4O2/c1-12(2)4-5-15(21)18-13-6-8-20(9-7-13)14-10-16(22)19(3)17-11-14/h10-13H,4-9H2,1-3H3,(H,18,21)
InChIKeyZUYRFAFJJVXCEW-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.30
Rot. Bonds5

About 4-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]pentanamide

4-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]pentanamide (PubChem CID 91924027) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]pentanamide
PubChem CID91924027
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name4-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]pentanamide
SMILESCC(C)CCC(=O)NC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C16H26N4O2/c1-12(2)4-5-15(21)18-13-6-8-20(9-7-13)14-10-16(22)19(3)17-11-14/h10-13H,4-9H2,1-3H3,(H,18,21)
InChIKeyZUYRFAFJJVXCEW-UHFFFAOYSA-N
XLogP1.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]pentanamide?
The IUPAC name of 4-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]pentanamide (CID 91924027) is 4-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]pentanamide.
What is the SMILES notation for 4-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]pentanamide?
The canonical SMILES for 4-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]pentanamide is CC(C)CCC(=O)NC1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of 4-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]pentanamide?
The InChIKey is ZUYRFAFJJVXCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12(2)4-5-15(21)18-13-6-8-20(9-7-13)14-10-16(22)19(3)17-11-14/h10-13H,4-9H2,1-3H3,(H,18,21).
What are the key properties of 4-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]pentanamide?
4-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]pentanamide has a molecular weight of 306.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]pentanamide is sourced from PubChem (CID 91924027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).