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

C15H24ClN5O2 — CID 69230947

IUPACN-(2-aminoethyl)-2-chloro-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl]methyl]acetamide
SMILESCn1nc(N2CCC(CN(CCN)C(=O)CCl)CC2)ccc1=O
InChIInChI=1S/C15H24ClN5O2/c1-19-14(22)3-2-13(18-19)20-7-4-12(5-8-20)11-21(9-6-17)15(23)10-16/h2-3,12H,4-11,17H2,1H3
InChIKeyBJFXCTAXTRFSDZ-UHFFFAOYSA-N
MW341.84 g/mol
LogP0.02
Rot. Bonds6

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

N-(2-aminoethyl)-2-chloro-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 69230947) has the molecular formula C15H24ClN5O2 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-chloro-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-chloro-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl]methyl]acetamide
PubChem CID69230947
Molecular FormulaC15H24ClN5O2
Molecular Weight341.84 g/mol
Exact Mass341.16
IUPAC NameN-(2-aminoethyl)-2-chloro-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl]methyl]acetamide
SMILESCn1nc(N2CCC(CN(CCN)C(=O)CCl)CC2)ccc1=O
InChIInChI=1S/C15H24ClN5O2/c1-19-14(22)3-2-13(18-19)20-7-4-12(5-8-20)11-21(9-6-17)15(23)10-16/h2-3,12H,4-11,17H2,1H3
InChIKeyBJFXCTAXTRFSDZ-UHFFFAOYSA-N
XLogP0.02
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 50.02
H-Bond Donors ≤ 51
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-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-chloro-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl]methyl]acetamide (CID 69230947) is N-(2-aminoethyl)-2-chloro-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-chloro-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-chloro-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl]methyl]acetamide is Cn1nc(N2CCC(CN(CCN)C(=O)CCl)CC2)ccc1=O.
What is the InChIKey of N-(2-aminoethyl)-2-chloro-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is BJFXCTAXTRFSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5O2/c1-19-14(22)3-2-13(18-19)20-7-4-12(5-8-20)11-21(9-6-17)15(23)10-16/h2-3,12H,4-11,17H2,1H3.
What are the key properties of N-(2-aminoethyl)-2-chloro-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl]methyl]acetamide?
N-(2-aminoethyl)-2-chloro-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 341.84 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-chloro-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 69230947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).