N-methyl-2-[4-[[(6-pyrazol-1-ylpyrazin-2-yl)amino]methyl]phenoxy]acetamide

C17H18N6O2 — CID 47054790

IUPACN-methyl-2-[4-[[(6-pyrazol-1-ylpyrazin-2-yl)amino]methyl]phenoxy]acetamide
SMILESCNC(=O)COc1ccc(CNc2cncc(-n3cccn3)n2)cc1
InChIInChI=1S/C17H18N6O2/c1-18-17(24)12-25-14-5-3-13(4-6-14)9-20-15-10-19-11-16(22-15)23-8-2-7-21-23/h2-8,10-11H,9,12H2,1H3,(H,18,24)(H,20,22)
InChIKeyQAKGWASEZLMTML-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.40
Rot. Bonds7

About N-methyl-2-[4-[[(6-pyrazol-1-ylpyrazin-2-yl)amino]methyl]phenoxy]acetamide

N-methyl-2-[4-[[(6-pyrazol-1-ylpyrazin-2-yl)amino]methyl]phenoxy]acetamide (PubChem CID 47054790) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-methyl-2-[4-[[(6-pyrazol-1-ylpyrazin-2-yl)amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[[(6-pyrazol-1-ylpyrazin-2-yl)amino]methyl]phenoxy]acetamide
PubChem CID47054790
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-methyl-2-[4-[[(6-pyrazol-1-ylpyrazin-2-yl)amino]methyl]phenoxy]acetamide
SMILESCNC(=O)COc1ccc(CNc2cncc(-n3cccn3)n2)cc1
InChIInChI=1S/C17H18N6O2/c1-18-17(24)12-25-14-5-3-13(4-6-14)9-20-15-10-19-11-16(22-15)23-8-2-7-21-23/h2-8,10-11H,9,12H2,1H3,(H,18,24)(H,20,22)
InChIKeyQAKGWASEZLMTML-UHFFFAOYSA-N
XLogP1.40
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-methyl-2-[4-[[(6-pyrazol-1-ylpyrazin-2-yl)amino]methyl]phenoxy]acetamide with MolForge

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Related Compounds

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6-pyrazol-1-ylpyrazin-2-amine
CID 55833026
N-[(2-ethoxy-3-pyridinyl)methyl]-6-pyrazol-1-ylpyrazin-2-amine
CID 47053568
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46473158
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
N-[2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 51086656
4-methyl-2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]pentanoic acid
CID 122062606
2-(4-methoxyphenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122290600
2-[4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenoxy]-N-methylacetamide
CID 86778558
2-(4-methylphenoxy)-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122310144
2-(6-bromonaphthalen-2-yl)oxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 55852461
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 110487955
N-benzyl-6-imidazol-1-ylpyrazin-2-amine
CID 10060708

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[[(6-pyrazol-1-ylpyrazin-2-yl)amino]methyl]phenoxy]acetamide?
The IUPAC name of N-methyl-2-[4-[[(6-pyrazol-1-ylpyrazin-2-yl)amino]methyl]phenoxy]acetamide (CID 47054790) is N-methyl-2-[4-[[(6-pyrazol-1-ylpyrazin-2-yl)amino]methyl]phenoxy]acetamide.
What is the SMILES notation for N-methyl-2-[4-[[(6-pyrazol-1-ylpyrazin-2-yl)amino]methyl]phenoxy]acetamide?
The canonical SMILES for N-methyl-2-[4-[[(6-pyrazol-1-ylpyrazin-2-yl)amino]methyl]phenoxy]acetamide is CNC(=O)COc1ccc(CNc2cncc(-n3cccn3)n2)cc1.
What is the InChIKey of N-methyl-2-[4-[[(6-pyrazol-1-ylpyrazin-2-yl)amino]methyl]phenoxy]acetamide?
The InChIKey is QAKGWASEZLMTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-18-17(24)12-25-14-5-3-13(4-6-14)9-20-15-10-19-11-16(22-15)23-8-2-7-21-23/h2-8,10-11H,9,12H2,1H3,(H,18,24)(H,20,22).
What are the key properties of N-methyl-2-[4-[[(6-pyrazol-1-ylpyrazin-2-yl)amino]methyl]phenoxy]acetamide?
N-methyl-2-[4-[[(6-pyrazol-1-ylpyrazin-2-yl)amino]methyl]phenoxy]acetamide has a molecular weight of 338.37 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[[(6-pyrazol-1-ylpyrazin-2-yl)amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 47054790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).