N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide;dihydrochloride

C16H27Cl2N5O2 — CID 69228075

IUPACN-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide;dihydrochloride
SMILESC=CCN(CCN)C(=O)C1CCN(c2ccc(=O)n(C)n2)CC1.Cl.Cl
InChIInChI=1S/C16H25N5O2.2ClH/c1-3-9-21(12-8-17)16(23)13-6-10-20(11-7-13)14-4-5-15(22)19(2)18-14;;/h3-5,13H,1,6-12,17H2,2H3;2*1H
InChIKeyRUMBWWVGOUWWSL-UHFFFAOYSA-N
MW392.33 g/mol
LogP0.81
Rot. Bonds6

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

N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 69228075) has the molecular formula C16H27Cl2N5O2 and a molecular weight of 392.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide;dihydrochloride
PubChem CID69228075
Molecular FormulaC16H27Cl2N5O2
Molecular Weight392.33 g/mol
Exact Mass391.15
IUPAC NameN-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide;dihydrochloride
SMILESC=CCN(CCN)C(=O)C1CCN(c2ccc(=O)n(C)n2)CC1.Cl.Cl
InChIInChI=1S/C16H25N5O2.2ClH/c1-3-9-21(12-8-17)16(23)13-6-10-20(11-7-13)14-4-5-15(22)19(2)18-14;;/h3-5,13H,1,6-12,17H2,2H3;2*1H
InChIKeyRUMBWWVGOUWWSL-UHFFFAOYSA-N
XLogP0.81
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide;dihydrochloride (CID 69228075) is N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide;dihydrochloride is C=CCN(CCN)C(=O)C1CCN(c2ccc(=O)n(C)n2)CC1.Cl.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide;dihydrochloride?
The InChIKey is RUMBWWVGOUWWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2.2ClH/c1-3-9-21(12-8-17)16(23)13-6-10-20(11-7-13)14-4-5-15(22)19(2)18-14;;/h3-5,13H,1,6-12,17H2,2H3;2*1H.
What are the key properties of N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide;dihydrochloride?
N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 392.33 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 69228075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).