N'-[2,5-dimethyl-6-(3-propanoylphenoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide

C20H25N3O2 — CID 25157057

IUPACN'-[2,5-dimethyl-6-(3-propanoylphenoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
SMILESCCC(=O)c1cccc(Oc2nc(C)c(/N=C/N(C)CC)cc2C)c1
InChIInChI=1S/C20H25N3O2/c1-6-19(24)16-9-8-10-17(12-16)25-20-14(3)11-18(15(4)22-20)21-13-23(5)7-2/h8-13H,6-7H2,1-5H3/b21-13+
InChIKeyBUYIATNIGMQUFN-FYJGNVAPSA-N
MW339.44 g/mol
LogP4.69
Rot. Bonds7

About N'-[2,5-dimethyl-6-(3-propanoylphenoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide

N'-[2,5-dimethyl-6-(3-propanoylphenoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 25157057) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N'-[2,5-dimethyl-6-(3-propanoylphenoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2,5-dimethyl-6-(3-propanoylphenoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
PubChem CID25157057
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN'-[2,5-dimethyl-6-(3-propanoylphenoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
SMILESCCC(=O)c1cccc(Oc2nc(C)c(/N=C/N(C)CC)cc2C)c1
InChIInChI=1S/C20H25N3O2/c1-6-19(24)16-9-8-10-17(12-16)25-20-14(3)11-18(15(4)22-20)21-13-23(5)7-2/h8-13H,6-7H2,1-5H3/b21-13+
InChIKeyBUYIATNIGMQUFN-FYJGNVAPSA-N
XLogP4.69
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[[3-bromo-5-[[ethyl(methyl)amino]methylideneamino]-6-methyl-2-pyridinyl]oxy]phenyl]-ethyl-oxo-λ6-sulfanylidene]cyclobutanecarboxamide
CID 154629452
N'-[5-bromo-2-methyl-6-[3-[S-methyl-N-(3-methylbutyl)sulfonimidoyl]phenoxy]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 146546120
N-ethyl-N'-[4-[3-(2-hydroxyethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 69040886
1-[3-(2-methylphenoxy)phenyl]propan-1-one
CID 114079071
N-[[3-[[3-bromo-5-[[ethyl(methyl)amino]methylideneamino]-6-methyl-2-pyridinyl]oxy]phenyl]-methyl-oxo-λ6-sulfanylidene]-2-(oxan-4-yl)acetamide
CID 146546147
1-(3-naphthalen-1-yloxyphenyl)propan-1-one
CID 22660295
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
N-ethyl-N-methyl-N'-[2-methyl-6-[(2-methylphenyl)methoxy]-5-tripropylsilyl-3-pyridinyl]methanimidamide
CID 123308692
N'-[5-bromo-2-methyl-6-[(2S)-1-propoxypropan-2-yl]oxy-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 91971354
N'-[5-[1-(dimethylamino)ethenyl]-2,6-dimethyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 145294582
(3,4-dichlorophenyl) 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate
CID 155325189
N'-[2-chloro-4-[2-(4-chlorophenoxy)acetyl]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135362957

Frequently Asked Questions

What is the IUPAC name of N'-[2,5-dimethyl-6-(3-propanoylphenoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2,5-dimethyl-6-(3-propanoylphenoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide (CID 25157057) is N'-[2,5-dimethyl-6-(3-propanoylphenoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2,5-dimethyl-6-(3-propanoylphenoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2,5-dimethyl-6-(3-propanoylphenoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide is CCC(=O)c1cccc(Oc2nc(C)c(/N=C/N(C)CC)cc2C)c1.
What is the InChIKey of N'-[2,5-dimethyl-6-(3-propanoylphenoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is BUYIATNIGMQUFN-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-6-19(24)16-9-8-10-17(12-16)25-20-14(3)11-18(15(4)22-20)21-13-23(5)7-2/h8-13H,6-7H2,1-5H3/b21-13+.
What are the key properties of N'-[2,5-dimethyl-6-(3-propanoylphenoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
N'-[2,5-dimethyl-6-(3-propanoylphenoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 339.44 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,5-dimethyl-6-(3-propanoylphenoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 25157057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).