N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide

C13H20N4O2 — CID 90883841

IUPACN-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C13H20N4O2/c1-3-14-13(19)10-6-8-17(9-7-10)11-4-5-12(18)16(2)15-11/h4-5,10H,3,6-9H2,1-2H3,(H,14,19)
InChIKeyATWUPVHDBGJDIG-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.13
Rot. Bonds3

About N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide

N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 90883841) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
PubChem CID90883841
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C13H20N4O2/c1-3-14-13(19)10-6-8-17(9-7-10)11-4-5-12(18)16(2)15-11/h4-5,10H,3,6-9H2,1-2H3,(H,14,19)
InChIKeyATWUPVHDBGJDIG-UHFFFAOYSA-N
XLogP0.13
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 ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide (CID 90883841) is N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide is CCNC(=O)C1CCN(c2ccc(=O)n(C)n2)CC1.
What is the InChIKey of N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is ATWUPVHDBGJDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-14-13(19)10-6-8-17(9-7-10)11-4-5-12(18)16(2)15-11/h4-5,10H,3,6-9H2,1-2H3,(H,14,19).
What are the key properties of N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide?
N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 90883841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).