[4-[5-amino-6-(2,4,6-trimethylphenoxy)-2-pyridinyl]piperazin-1-yl]-cyclopropylmethanone;ethane

C26H40N4O2 — CID 177181389

IUPAC[4-[5-amino-6-(2,4,6-trimethylphenoxy)-2-pyridinyl]piperazin-1-yl]-cyclopropylmethanone;ethane
SMILESCC.CC.Cc1cc(C)c(Oc2nc(N3CCN(C(=O)C4CC4)CC3)ccc2N)c(C)c1
InChIInChI=1S/C22H28N4O2.2C2H6/c1-14-12-15(2)20(16(3)13-14)28-21-18(23)6-7-19(24-21)25-8-10-26(11-9-25)22(27)17-4-5-17;2*1-2/h6-7,12-13,17H,4-5,8-11,23H2,1-3H3;2*1-2H3
InChIKeyUPWKWSSGCKGHLH-UHFFFAOYSA-N
MW440.63 g/mol
LogP5.49
Rot. Bonds4

About [4-[5-amino-6-(2,4,6-trimethylphenoxy)-2-pyridinyl]piperazin-1-yl]-cyclopropylmethanone;ethane

[4-[5-amino-6-(2,4,6-trimethylphenoxy)-2-pyridinyl]piperazin-1-yl]-cyclopropylmethanone;ethane (PubChem CID 177181389) has the molecular formula C26H40N4O2 and a molecular weight of 440.63 g/mol. Its IUPAC name is [4-[5-amino-6-(2,4,6-trimethylphenoxy)-2-pyridinyl]piperazin-1-yl]-cyclopropylmethanone;ethane.

Molecular Properties

Compound Name[4-[5-amino-6-(2,4,6-trimethylphenoxy)-2-pyridinyl]piperazin-1-yl]-cyclopropylmethanone;ethane
PubChem CID177181389
Molecular FormulaC26H40N4O2
Molecular Weight440.63 g/mol
Exact Mass440.32
IUPAC Name[4-[5-amino-6-(2,4,6-trimethylphenoxy)-2-pyridinyl]piperazin-1-yl]-cyclopropylmethanone;ethane
SMILESCC.CC.Cc1cc(C)c(Oc2nc(N3CCN(C(=O)C4CC4)CC3)ccc2N)c(C)c1
InChIInChI=1S/C22H28N4O2.2C2H6/c1-14-12-15(2)20(16(3)13-14)28-21-18(23)6-7-19(24-21)25-8-10-26(11-9-25)22(27)17-4-5-17;2*1-2/h6-7,12-13,17H,4-5,8-11,23H2,1-3H3;2*1-2H3
InChIKeyUPWKWSSGCKGHLH-UHFFFAOYSA-N
XLogP5.49
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[5-amino-6-(2,4,6-trimethylphenoxy)-2-pyridinyl]piperazin-1-yl]-cyclopropylmethanone;ethane with MolForge

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Related Compounds

cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110727399
cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 171691592
tert-butyl 4-(5-amino-6-methoxy-2-pyridinyl)piperazine-1-carboxylate;ethane
CID 145279147
[4-(5-amino-2-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
CID 43462008
cyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883287
[4-(4-amino-3-methylbenzoyl)piperazin-1-yl]-cyclopropylmethanone
CID 60939271
1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 79020981
[1-(5,7-dimethyl-1,8-naphthyridin-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 165435169
cyclobutyl-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342403
cyclopropyl-[4-(2-methoxy-3,5-dimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806493
1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 82331726
cyclopropyl-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122279215

Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-(2,4,6-trimethylphenoxy)-2-pyridinyl]piperazin-1-yl]-cyclopropylmethanone;ethane?
The IUPAC name of [4-[5-amino-6-(2,4,6-trimethylphenoxy)-2-pyridinyl]piperazin-1-yl]-cyclopropylmethanone;ethane (CID 177181389) is [4-[5-amino-6-(2,4,6-trimethylphenoxy)-2-pyridinyl]piperazin-1-yl]-cyclopropylmethanone;ethane.
What is the SMILES notation for [4-[5-amino-6-(2,4,6-trimethylphenoxy)-2-pyridinyl]piperazin-1-yl]-cyclopropylmethanone;ethane?
The canonical SMILES for [4-[5-amino-6-(2,4,6-trimethylphenoxy)-2-pyridinyl]piperazin-1-yl]-cyclopropylmethanone;ethane is CC.CC.Cc1cc(C)c(Oc2nc(N3CCN(C(=O)C4CC4)CC3)ccc2N)c(C)c1.
What is the InChIKey of [4-[5-amino-6-(2,4,6-trimethylphenoxy)-2-pyridinyl]piperazin-1-yl]-cyclopropylmethanone;ethane?
The InChIKey is UPWKWSSGCKGHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2.2C2H6/c1-14-12-15(2)20(16(3)13-14)28-21-18(23)6-7-19(24-21)25-8-10-26(11-9-25)22(27)17-4-5-17;2*1-2/h6-7,12-13,17H,4-5,8-11,23H2,1-3H3;2*1-2H3.
What are the key properties of [4-[5-amino-6-(2,4,6-trimethylphenoxy)-2-pyridinyl]piperazin-1-yl]-cyclopropylmethanone;ethane?
[4-[5-amino-6-(2,4,6-trimethylphenoxy)-2-pyridinyl]piperazin-1-yl]-cyclopropylmethanone;ethane has a molecular weight of 440.63 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-6-(2,4,6-trimethylphenoxy)-2-pyridinyl]piperazin-1-yl]-cyclopropylmethanone;ethane is sourced from PubChem (CID 177181389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).