6-(4-acetylpiperazin-1-yl)-4-amino-2-ethoxypyridine-3-carbonitrile

C14H19N5O2 — CID 70924776

IUPAC6-(4-acetylpiperazin-1-yl)-4-amino-2-ethoxypyridine-3-carbonitrile
SMILESCCOc1nc(N2CCN(C(C)=O)CC2)cc(N)c1C#N
InChIInChI=1S/C14H19N5O2/c1-3-21-14-11(9-15)12(16)8-13(17-14)19-6-4-18(5-7-19)10(2)20/h8H,3-7H2,1-2H3,(H2,16,17)
InChIKeyBEOWXWPEBQOROV-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.60
Rot. Bonds3

About 6-(4-acetylpiperazin-1-yl)-4-amino-2-ethoxypyridine-3-carbonitrile

6-(4-acetylpiperazin-1-yl)-4-amino-2-ethoxypyridine-3-carbonitrile (PubChem CID 70924776) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-4-amino-2-ethoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-4-amino-2-ethoxypyridine-3-carbonitrile
PubChem CID70924776
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name6-(4-acetylpiperazin-1-yl)-4-amino-2-ethoxypyridine-3-carbonitrile
SMILESCCOc1nc(N2CCN(C(C)=O)CC2)cc(N)c1C#N
InChIInChI=1S/C14H19N5O2/c1-3-21-14-11(9-15)12(16)8-13(17-14)19-6-4-18(5-7-19)10(2)20/h8H,3-7H2,1-2H3,(H2,16,17)
InChIKeyBEOWXWPEBQOROV-UHFFFAOYSA-N
XLogP0.60
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-4-amino-2-ethoxypyridine-3-carbonitrile?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-4-amino-2-ethoxypyridine-3-carbonitrile (CID 70924776) is 6-(4-acetylpiperazin-1-yl)-4-amino-2-ethoxypyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-4-amino-2-ethoxypyridine-3-carbonitrile?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-4-amino-2-ethoxypyridine-3-carbonitrile is CCOc1nc(N2CCN(C(C)=O)CC2)cc(N)c1C#N.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-4-amino-2-ethoxypyridine-3-carbonitrile?
The InChIKey is BEOWXWPEBQOROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-21-14-11(9-15)12(16)8-13(17-14)19-6-4-18(5-7-19)10(2)20/h8H,3-7H2,1-2H3,(H2,16,17).
What are the key properties of 6-(4-acetylpiperazin-1-yl)-4-amino-2-ethoxypyridine-3-carbonitrile?
6-(4-acetylpiperazin-1-yl)-4-amino-2-ethoxypyridine-3-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-4-amino-2-ethoxypyridine-3-carbonitrile is sourced from PubChem (CID 70924776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).