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

C13H20N4O2 — CID 110876546

IUPACN-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C13H20N4O2/c1-3-12(18)15-10-4-6-17(7-5-10)11-8-13(19)16(2)14-9-11/h8-10H,3-7H2,1-2H3,(H,15,18)
InChIKeyBLPQUZIYRPYUFK-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.28
Rot. Bonds3

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

N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide (PubChem CID 110876546) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide
PubChem CID110876546
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C13H20N4O2/c1-3-12(18)15-10-4-6-17(7-5-10)11-8-13(19)16(2)14-9-11/h8-10H,3-7H2,1-2H3,(H,15,18)
InChIKeyBLPQUZIYRPYUFK-UHFFFAOYSA-N
XLogP0.28
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide?
The IUPAC name of N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide (CID 110876546) is N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide is CCC(=O)NC1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide?
The InChIKey is BLPQUZIYRPYUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-12(18)15-10-4-6-17(7-5-10)11-8-13(19)16(2)14-9-11/h8-10H,3-7H2,1-2H3,(H,15,18).
What are the key properties of N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide?
N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide has a molecular weight of 264.33 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 110876546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).