2-amino-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride

C19H34Cl3N5O2 — CID 120801593

IUPAC2-amino-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride
SMILESCCN1CCN(c2ccc(CNC(=O)C(N)C3CCOCC3)cn2)CC1.Cl.Cl.Cl
InChIInChI=1S/C19H31N5O2.3ClH/c1-2-23-7-9-24(10-8-23)17-4-3-15(13-21-17)14-22-19(25)18(20)16-5-11-26-12-6-16;;;/h3-4,13,16,18H,2,5-12,14,20H2,1H3,(H,22,25);3*1H
InChIKeyHDIKTZLWHHSGLQ-UHFFFAOYSA-N
MW470.87 g/mol
LogP1.86
Rot. Bonds6

About 2-amino-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride

2-amino-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride (PubChem CID 120801593) has the molecular formula C19H34Cl3N5O2 and a molecular weight of 470.87 g/mol. Its IUPAC name is 2-amino-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride.

Molecular Properties

Compound Name2-amino-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride
PubChem CID120801593
Molecular FormulaC19H34Cl3N5O2
Molecular Weight470.87 g/mol
Exact Mass469.18
IUPAC Name2-amino-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride
SMILESCCN1CCN(c2ccc(CNC(=O)C(N)C3CCOCC3)cn2)CC1.Cl.Cl.Cl
InChIInChI=1S/C19H31N5O2.3ClH/c1-2-23-7-9-24(10-8-23)17-4-3-15(13-21-17)14-22-19(25)18(20)16-5-11-26-12-6-16;;;/h3-4,13,16,18H,2,5-12,14,20H2,1H3,(H,22,25);3*1H
InChIKeyHDIKTZLWHHSGLQ-UHFFFAOYSA-N
XLogP1.86
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.87
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride with MolForge

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Related Compounds

2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride
CID 120801577
2-amino-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120801606
(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 98753721
(3S)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylmorpholine-4-carboxamide
CID 94030908
2-amino-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797991
3-amino-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]butanamide;trihydrochloride
CID 120504383
3-cyclohexyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
CID 55744205
(2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119839457
2-methoxy-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47303387
2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid
CID 114897147
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide
CID 146083518
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 38528657

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride?
The IUPAC name of 2-amino-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride (CID 120801593) is 2-amino-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride.
What is the SMILES notation for 2-amino-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride?
The canonical SMILES for 2-amino-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride is CCN1CCN(c2ccc(CNC(=O)C(N)C3CCOCC3)cn2)CC1.Cl.Cl.Cl.
What is the InChIKey of 2-amino-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride?
The InChIKey is HDIKTZLWHHSGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2.3ClH/c1-2-23-7-9-24(10-8-23)17-4-3-15(13-21-17)14-22-19(25)18(20)16-5-11-26-12-6-16;;;/h3-4,13,16,18H,2,5-12,14,20H2,1H3,(H,22,25);3*1H.
What are the key properties of 2-amino-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride?
2-amino-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride has a molecular weight of 470.87 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride is sourced from PubChem (CID 120801593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).