N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide

C16H24N4O2 — CID 90708660

IUPACN-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCN(CC)C(=O)C1CCN(c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C16H24N4O2/c1-4-10-19(5-2)16(22)13-8-11-20(12-9-13)14-6-7-15(21)18(3)17-14/h4,6-7,13H,1,5,8-12H2,2-3H3
InChIKeyQEEFWJLRLRMYFE-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.03
Rot. Bonds5

About N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide

N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide (PubChem CID 90708660) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide
PubChem CID90708660
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCN(CC)C(=O)C1CCN(c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C16H24N4O2/c1-4-10-19(5-2)16(22)13-8-11-20(12-9-13)14-6-7-15(21)18(3)17-14/h4,6-7,13H,1,5,8-12H2,2-3H3
InChIKeyQEEFWJLRLRMYFE-UHFFFAOYSA-N
XLogP1.03
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide (CID 90708660) is N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide is C=CCN(CC)C(=O)C1CCN(c2ccc(=O)n(C)n2)CC1.
What is the InChIKey of N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide?
The InChIKey is QEEFWJLRLRMYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-4-10-19(5-2)16(22)13-8-11-20(12-9-13)14-6-7-15(21)18(3)17-14/h4,6-7,13H,1,5,8-12H2,2-3H3.
What are the key properties of N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide?
N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 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)-N-prop-2-enylpiperidine-4-carboxamide is sourced from PubChem (CID 90708660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).