3-amino-1-[4-[[3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]propan-1-one

C26H32N6O2 — CID 68944007

IUPAC3-amino-1-[4-[[3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]propan-1-one
SMILESCc1ccc(Oc2ccnc(Nc3cccc(CN4CCN(C(=O)CCN)CC4)c3)c2)c(C)n1
InChIInChI=1S/C26H32N6O2/c1-19-6-7-24(20(2)29-19)34-23-9-11-28-25(17-23)30-22-5-3-4-21(16-22)18-31-12-14-32(15-13-31)26(33)8-10-27/h3-7,9,11,16-17H,8,10,12-15,18,27H2,1-2H3,(H,28,30)
InChIKeyTUUKWODCAKTQOF-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.62
Rot. Bonds8

About 3-amino-1-[4-[[3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]propan-1-one

3-amino-1-[4-[[3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]propan-1-one (PubChem CID 68944007) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 3-amino-1-[4-[[3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-[[3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]propan-1-one
PubChem CID68944007
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC Name3-amino-1-[4-[[3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]propan-1-one
SMILESCc1ccc(Oc2ccnc(Nc3cccc(CN4CCN(C(=O)CCN)CC4)c3)c2)c(C)n1
InChIInChI=1S/C26H32N6O2/c1-19-6-7-24(20(2)29-19)34-23-9-11-28-25(17-23)30-22-5-3-4-21(16-22)18-31-12-14-32(15-13-31)26(33)8-10-27/h3-7,9,11,16-17H,8,10,12-15,18,27H2,1-2H3,(H,28,30)
InChIKeyTUUKWODCAKTQOF-UHFFFAOYSA-N
XLogP3.62
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-amino-1-[4-[[3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

3-[4-[[3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]-3-oxopropanamide
CID 68849766
N-[3-(chloromethyl)phenyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]pyridin-2-amine
CID 68849847
4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-phenylpyridin-2-amine
CID 87630526
2-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide
CID 59543950
3-[3-[[4-[(6-ethyl-2,5-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]-2-(oxiran-2-yl)propanoic acid
CID 156787551
2-[4-[[3-[[4-[2-(3-aminopropylamino)pyrimidin-5-yl]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]-3-methoxypropanoic acid
CID 118429523
[3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methanol
CID 68851106
4-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119832689
N-methyl-4-[[3-[[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-carboxamide
CID 46182417
methyl 4-[[3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]phenyl]methyl]piperazine-1-carboxylate
CID 160973082
ethyl 4-[[2-(aminomethyl)-4-pyridinyl]methyl]piperazine-1-carboxylate
CID 107876899
ethyl 4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-1-carboxylate
CID 107877716

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-[[3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[4-[[3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]propan-1-one (CID 68944007) is 3-amino-1-[4-[[3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[4-[[3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[4-[[3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]propan-1-one is Cc1ccc(Oc2ccnc(Nc3cccc(CN4CCN(C(=O)CCN)CC4)c3)c2)c(C)n1.
What is the InChIKey of 3-amino-1-[4-[[3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]propan-1-one?
The InChIKey is TUUKWODCAKTQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-19-6-7-24(20(2)29-19)34-23-9-11-28-25(17-23)30-22-5-3-4-21(16-22)18-31-12-14-32(15-13-31)26(33)8-10-27/h3-7,9,11,16-17H,8,10,12-15,18,27H2,1-2H3,(H,28,30).
What are the key properties of 3-amino-1-[4-[[3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]propan-1-one?
3-amino-1-[4-[[3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]propan-1-one has a molecular weight of 460.58 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-[[3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 68944007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).