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

C16H25N5O2 — CID 69228076

IUPACN-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCN(CCN)C(=O)C1CCN(c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C16H25N5O2/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
InChIKeyICCPWHGZGTVWIY-UHFFFAOYSA-N
MW319.41 g/mol
LogP-0.03
Rot. Bonds6

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

N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide (PubChem CID 69228076) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide
PubChem CID69228076
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCN(CCN)C(=O)C1CCN(c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C16H25N5O2/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
InChIKeyICCPWHGZGTVWIY-UHFFFAOYSA-N
XLogP-0.03
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 5-0.03
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?
The IUPAC name of N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide (CID 69228076) is N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide is C=CCN(CCN)C(=O)C1CCN(c2ccc(=O)n(C)n2)CC1.
What is the InChIKey of N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide?
The InChIKey is ICCPWHGZGTVWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/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.
What are the key properties of N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide?
N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)-N-prop-2-enylpiperidine-4-carboxamide has a molecular weight of 319.41 g/mol, XLogP of -0.03, 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 is sourced from PubChem (CID 69228076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).