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

C14H22N4O2 — CID 110876547

IUPACN-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C14H22N4O2/c1-3-4-13(19)16-11-5-7-18(8-6-11)12-9-14(20)17(2)15-10-12/h9-11H,3-8H2,1-2H3,(H,16,19)
InChIKeyIBIUFABFDWAMGC-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.67
Rot. Bonds4

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

N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide (PubChem CID 110876547) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide
PubChem CID110876547
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C14H22N4O2/c1-3-4-13(19)16-11-5-7-18(8-6-11)12-9-14(20)17(2)15-10-12/h9-11H,3-8H2,1-2H3,(H,16,19)
InChIKeyIBIUFABFDWAMGC-UHFFFAOYSA-N
XLogP0.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.67
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]butanamide?
The IUPAC name of N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide (CID 110876547) is N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide.
What is the SMILES notation for N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide?
The canonical SMILES for N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide is CCCC(=O)NC1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide?
The InChIKey is IBIUFABFDWAMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-4-13(19)16-11-5-7-18(8-6-11)12-9-14(20)17(2)15-10-12/h9-11H,3-8H2,1-2H3,(H,16,19).
What are the key properties of N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide?
N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide has a molecular weight of 278.36 g/mol, XLogP of 0.67, 4 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]butanamide is sourced from PubChem (CID 110876547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).