N-(2-aminoethyl)-2-chloro-N-[(1-methyl-6-oxopyridazin-3-yl)-piperidin-4-ylmethyl]acetamide;hydrochloride

C15H25Cl2N5O2 — CID 69230949

IUPACN-(2-aminoethyl)-2-chloro-N-[(1-methyl-6-oxopyridazin-3-yl)-piperidin-4-ylmethyl]acetamide;hydrochloride
SMILESCl.Cn1nc(C(C2CCNCC2)N(CCN)C(=O)CCl)ccc1=O
InChIInChI=1S/C15H24ClN5O2.ClH/c1-20-13(22)3-2-12(19-20)15(11-4-7-18-8-5-11)21(9-6-17)14(23)10-16;/h2-3,11,15,18H,4-10,17H2,1H3;1H
InChIKeyNGKBMWULGBNWRZ-UHFFFAOYSA-N
MW378.30 g/mol
LogP0.27
Rot. Bonds6

About N-(2-aminoethyl)-2-chloro-N-[(1-methyl-6-oxopyridazin-3-yl)-piperidin-4-ylmethyl]acetamide;hydrochloride

N-(2-aminoethyl)-2-chloro-N-[(1-methyl-6-oxopyridazin-3-yl)-piperidin-4-ylmethyl]acetamide;hydrochloride (PubChem CID 69230949) has the molecular formula C15H25Cl2N5O2 and a molecular weight of 378.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-chloro-N-[(1-methyl-6-oxopyridazin-3-yl)-piperidin-4-ylmethyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-chloro-N-[(1-methyl-6-oxopyridazin-3-yl)-piperidin-4-ylmethyl]acetamide;hydrochloride
PubChem CID69230949
Molecular FormulaC15H25Cl2N5O2
Molecular Weight378.30 g/mol
Exact Mass377.14
IUPAC NameN-(2-aminoethyl)-2-chloro-N-[(1-methyl-6-oxopyridazin-3-yl)-piperidin-4-ylmethyl]acetamide;hydrochloride
SMILESCl.Cn1nc(C(C2CCNCC2)N(CCN)C(=O)CCl)ccc1=O
InChIInChI=1S/C15H24ClN5O2.ClH/c1-20-13(22)3-2-12(19-20)15(11-4-7-18-8-5-11)21(9-6-17)14(23)10-16;/h2-3,11,15,18H,4-10,17H2,1H3;1H
InChIKeyNGKBMWULGBNWRZ-UHFFFAOYSA-N
XLogP0.27
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-chloro-N-[(1-methyl-6-oxopyridazin-3-yl)-piperidin-4-ylmethyl]acetamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-chloro-N-[(1-methyl-6-oxopyridazin-3-yl)-piperidin-4-ylmethyl]acetamide;hydrochloride (CID 69230949) is N-(2-aminoethyl)-2-chloro-N-[(1-methyl-6-oxopyridazin-3-yl)-piperidin-4-ylmethyl]acetamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-chloro-N-[(1-methyl-6-oxopyridazin-3-yl)-piperidin-4-ylmethyl]acetamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-chloro-N-[(1-methyl-6-oxopyridazin-3-yl)-piperidin-4-ylmethyl]acetamide;hydrochloride is Cl.Cn1nc(C(C2CCNCC2)N(CCN)C(=O)CCl)ccc1=O.
What is the InChIKey of N-(2-aminoethyl)-2-chloro-N-[(1-methyl-6-oxopyridazin-3-yl)-piperidin-4-ylmethyl]acetamide;hydrochloride?
The InChIKey is NGKBMWULGBNWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5O2.ClH/c1-20-13(22)3-2-12(19-20)15(11-4-7-18-8-5-11)21(9-6-17)14(23)10-16;/h2-3,11,15,18H,4-10,17H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-2-chloro-N-[(1-methyl-6-oxopyridazin-3-yl)-piperidin-4-ylmethyl]acetamide;hydrochloride?
N-(2-aminoethyl)-2-chloro-N-[(1-methyl-6-oxopyridazin-3-yl)-piperidin-4-ylmethyl]acetamide;hydrochloride has a molecular weight of 378.30 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-chloro-N-[(1-methyl-6-oxopyridazin-3-yl)-piperidin-4-ylmethyl]acetamide;hydrochloride is sourced from PubChem (CID 69230949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).