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

C14H22N4O2 — CID 110876544

IUPAC2-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C14H22N4O2/c1-10(2)14(20)16-11-4-6-18(7-5-11)12-8-13(19)17(3)15-9-12/h8-11H,4-7H2,1-3H3,(H,16,20)
InChIKeySNIDGQXIIJDHMA-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.52
Rot. Bonds3

About 2-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide

2-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide (PubChem CID 110876544) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide
PubChem CID110876544
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C14H22N4O2/c1-10(2)14(20)16-11-4-6-18(7-5-11)12-8-13(19)17(3)15-9-12/h8-11H,4-7H2,1-3H3,(H,16,20)
InChIKeySNIDGQXIIJDHMA-UHFFFAOYSA-N
XLogP0.52
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide (CID 110876544) is 2-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide is CC(C)C(=O)NC1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of 2-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide?
The InChIKey is SNIDGQXIIJDHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(2)14(20)16-11-4-6-18(7-5-11)12-8-13(19)17(3)15-9-12/h8-11H,4-7H2,1-3H3,(H,16,20).
What are the key properties of 2-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide?
2-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide has a molecular weight of 278.36 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 110876544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).