1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanone

C13H20N4O — CID 113305458

IUPAC1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanone
SMILESCN1CCN(C)C(CC(=O)c2cnccc2N)C1
InChIInChI=1S/C13H20N4O/c1-16-5-6-17(2)10(9-16)7-13(18)11-8-15-4-3-12(11)14/h3-4,8,10H,5-7,9H2,1-2H3,(H2,14,15)
InChIKeyHIEIRDUNCVSVJM-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.48
Rot. Bonds3

About 1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanone

1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanone (PubChem CID 113305458) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanone
PubChem CID113305458
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanone
SMILESCN1CCN(C)C(CC(=O)c2cnccc2N)C1
InChIInChI=1S/C13H20N4O/c1-16-5-6-17(2)10(9-16)7-13(18)11-8-15-4-3-12(11)14/h3-4,8,10H,5-7,9H2,1-2H3,(H2,14,15)
InChIKeyHIEIRDUNCVSVJM-UHFFFAOYSA-N
XLogP0.48
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 113305466
3-[1-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-4-amine
CID 113305502
2-(1,4-dimethylpiperazin-2-yl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone
CID 114197551
4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 81243197
4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 81236133
1-(4-chloro-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone
CID 114642034
2-(1,4-dimethylpiperazin-2-yl)-1-quinolin-3-ylethanone
CID 115414691
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide
CID 63897503
2-amino-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63897211
1-(4-amino-3-pyridinyl)-4-methoxybutan-1-one
CID 65094552
1-(4-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
CID 115414660
2-(1,4-dimethylpiperazin-2-yl)-1-(3-fluoro-4-pyridinyl)ethanol
CID 104738104

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanone?
The IUPAC name of 1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanone (CID 113305458) is 1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanone.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanone?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanone is CN1CCN(C)C(CC(=O)c2cnccc2N)C1.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanone?
The InChIKey is HIEIRDUNCVSVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16-5-6-17(2)10(9-16)7-13(18)11-8-15-4-3-12(11)14/h3-4,8,10H,5-7,9H2,1-2H3,(H2,14,15).
What are the key properties of 1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanone?
1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanone has a molecular weight of 248.33 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanone is sourced from PubChem (CID 113305458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).