2-[4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]phenoxy]-N-(4-methylphenyl)acetamide

C22H21N5O2 — CID 133284074

IUPAC2-[4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(CCNc3nccnc3C#N)cc2)cc1
InChIInChI=1S/C22H21N5O2/c1-16-2-6-18(7-3-16)27-21(28)15-29-19-8-4-17(5-9-19)10-11-25-22-20(14-23)24-12-13-26-22/h2-9,12-13H,10-11,15H2,1H3,(H,25,26)(H,27,28)
InChIKeyCEAHZCYFJXAJCM-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.33
Rot. Bonds8

About 2-[4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]phenoxy]-N-(4-methylphenyl)acetamide

2-[4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]phenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 133284074) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]phenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]phenoxy]-N-(4-methylphenyl)acetamide
PubChem CID133284074
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name2-[4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(CCNc3nccnc3C#N)cc2)cc1
InChIInChI=1S/C22H21N5O2/c1-16-2-6-18(7-3-16)27-21(28)15-29-19-8-4-17(5-9-19)10-11-25-22-20(14-23)24-12-13-26-22/h2-9,12-13H,10-11,15H2,1H3,(H,25,26)(H,27,28)
InChIKeyCEAHZCYFJXAJCM-UHFFFAOYSA-N
XLogP3.33
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-(4-methylphenoxy)-N-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 112982175
2-(methylamino)-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]acetamide
CID 119751105
2-(4-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 2992862
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113029025
N-(4-butylphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671061
2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
CID 71095079
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
N-[4-[2-[3-(4-methylphenyl)propylamino]-2-oxoethoxy]phenyl]propanamide
CID 50979662
N-(4-methylphenyl)-2-[4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide
CID 66539248
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]piperidine-4-carboxamide
CID 119304611

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]phenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]phenoxy]-N-(4-methylphenyl)acetamide (CID 133284074) is 2-[4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]phenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]phenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]phenoxy]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(CCNc3nccnc3C#N)cc2)cc1.
What is the InChIKey of 2-[4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]phenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is CEAHZCYFJXAJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-16-2-6-18(7-3-16)27-21(28)15-29-19-8-4-17(5-9-19)10-11-25-22-20(14-23)24-12-13-26-22/h2-9,12-13H,10-11,15H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 2-[4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]phenoxy]-N-(4-methylphenyl)acetamide?
2-[4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]phenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 387.44 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]phenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 133284074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).