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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Related Compounds

methyl 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 66920745
4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid
CID 70924877
4-amino-5-cyano-N-(cyclopropylmethyl)-6-ethoxypyridine-2-carboxamide
CID 70924791
4-amino-2-ethoxy-6-[4-(morpholine-4-carbonyl)anilino]pyridine-3-carbonitrile
CID 70924988
ethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 107876946
4-amino-5-cyano-6-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide
CID 70924901
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-phenylacetamide
CID 11558435
4-amino-5-cyano-6-ethoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide
CID 66920795
4-amino-5-cyano-6-ethoxy-N-phenylpyridine-2-carboxamide
CID 70924732
1-[2-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 11589163
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-chlorophenyl)acetamide
CID 11544489
4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-2-ethoxypyridine-3-carbonitrile
CID 143926886

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).