N-(1-ethylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide

C13H20N4O2 — CID 51193592

IUPACN-(1-ethylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCN1CCC(NC(=O)c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C13H20N4O2/c1-3-17-8-6-10(7-9-17)14-13(19)11-4-5-12(18)16(2)15-11/h4-5,10H,3,6-9H2,1-2H3,(H,14,19)
InChIKeyIVKWMGUBUPSREE-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.01
Rot. Bonds3

About N-(1-ethylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide

N-(1-ethylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 51193592) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID51193592
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(1-ethylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCN1CCC(NC(=O)c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C13H20N4O2/c1-3-17-8-6-10(7-9-17)14-13(19)11-4-5-12(18)16(2)15-11/h4-5,10H,3,6-9H2,1-2H3,(H,14,19)
InChIKeyIVKWMGUBUPSREE-UHFFFAOYSA-N
XLogP-0.01
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 ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 51193592) is N-(1-ethylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide is CCN1CCC(NC(=O)c2ccc(=O)n(C)n2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is IVKWMGUBUPSREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-17-8-6-10(7-9-17)14-13(19)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-(1-ethylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(1-ethylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 51193592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).