N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide;hydrochloride

C13H22ClN5O2 — CID 86622553

IUPACN-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide;hydrochloride
SMILESCl.Cn1nc(N2CCC(C(=O)NCCN)CC2)ccc1=O
InChIInChI=1S/C13H21N5O2.ClH/c1-17-12(19)3-2-11(16-17)18-8-4-10(5-9-18)13(20)15-7-6-14;/h2-3,10H,4-9,14H2,1H3,(H,15,20);1H
InChIKeyWJJANLCRLQEYJX-UHFFFAOYSA-N
MW315.81 g/mol
LogP-0.51
Rot. Bonds4

About N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide;hydrochloride

N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide;hydrochloride (PubChem CID 86622553) has the molecular formula C13H22ClN5O2 and a molecular weight of 315.81 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide;hydrochloride
PubChem CID86622553
Molecular FormulaC13H22ClN5O2
Molecular Weight315.81 g/mol
Exact Mass315.15
IUPAC NameN-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide;hydrochloride
SMILESCl.Cn1nc(N2CCC(C(=O)NCCN)CC2)ccc1=O
InChIInChI=1S/C13H21N5O2.ClH/c1-17-12(19)3-2-11(16-17)18-8-4-10(5-9-18)13(20)15-7-6-14;/h2-3,10H,4-9,14H2,1H3,(H,15,20);1H
InChIKeyWJJANLCRLQEYJX-UHFFFAOYSA-N
XLogP-0.51
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide;hydrochloride (CID 86622553) is N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide;hydrochloride is Cl.Cn1nc(N2CCC(C(=O)NCCN)CC2)ccc1=O.
What is the InChIKey of N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is WJJANLCRLQEYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2.ClH/c1-17-12(19)3-2-11(16-17)18-8-4-10(5-9-18)13(20)15-7-6-14;/h2-3,10H,4-9,14H2,1H3,(H,15,20);1H.
What are the key properties of N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 315.81 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 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)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 86622553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).