N'-amino-2-[[5-[(E)-N-[(4-ethoxyphenyl)methoxy]-C-methylcarbonimidoyl]-2-pyridinyl]oxy]ethanimidamide

C18H23N5O3 — CID 134388914

IUPACN'-amino-2-[[5-[(E)-N-[(4-ethoxyphenyl)methoxy]-C-methylcarbonimidoyl]-2-pyridinyl]oxy]ethanimidamide
SMILESCCOc1ccc(CO/N=C(\C)c2ccc(OC/C(N)=N/N)nc2)cc1
InChIInChI=1S/C18H23N5O3/c1-3-24-16-7-4-14(5-8-16)11-26-23-13(2)15-6-9-18(21-10-15)25-12-17(19)22-20/h4-10H,3,11-12,20H2,1-2H3,(H2,19,22)/b23-13+
InChIKeyNOGLYFULFUBTGU-YDZHTSKRSA-N
MW357.41 g/mol
LogP2.03
Rot. Bonds9

About N'-amino-2-[[5-[(E)-N-[(4-ethoxyphenyl)methoxy]-C-methylcarbonimidoyl]-2-pyridinyl]oxy]ethanimidamide

N'-amino-2-[[5-[(E)-N-[(4-ethoxyphenyl)methoxy]-C-methylcarbonimidoyl]-2-pyridinyl]oxy]ethanimidamide (PubChem CID 134388914) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N'-amino-2-[[5-[(E)-N-[(4-ethoxyphenyl)methoxy]-C-methylcarbonimidoyl]-2-pyridinyl]oxy]ethanimidamide.

Molecular Properties

Compound NameN'-amino-2-[[5-[(E)-N-[(4-ethoxyphenyl)methoxy]-C-methylcarbonimidoyl]-2-pyridinyl]oxy]ethanimidamide
PubChem CID134388914
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN'-amino-2-[[5-[(E)-N-[(4-ethoxyphenyl)methoxy]-C-methylcarbonimidoyl]-2-pyridinyl]oxy]ethanimidamide
SMILESCCOc1ccc(CO/N=C(\C)c2ccc(OC/C(N)=N/N)nc2)cc1
InChIInChI=1S/C18H23N5O3/c1-3-24-16-7-4-14(5-8-16)11-26-23-13(2)15-6-9-18(21-10-15)25-12-17(19)22-20/h4-10H,3,11-12,20H2,1-2H3,(H2,19,22)/b23-13+
InChIKeyNOGLYFULFUBTGU-YDZHTSKRSA-N
XLogP2.03
TPSA117.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)-N-phenylmethoxyethanimine
CID 141463783
N-amino-N'-ethyl-2-[[5-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-pyridinyl]oxy]ethanimidamide
CID 134389236
N'-amino-2-[4-[(E)-N-[[3-methoxy-4-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]phenoxy]ethanimidamide
CID 134389071
ethanimidoyl 2-[[5-[C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-pyridinyl]oxy]ethanimidate
CID 123770471
1-(4-ethoxyphenyl)ethylidenehydrazine
CID 937394
1-[1-(6-ethoxy-3-pyridinyl)ethylideneamino]oxyethanol
CID 173318346
(E)-1-[6-[[1-(cyclopropylmethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]-N-[(4-methylphenyl)methoxy]ethanimine
CID 118975036
1-[[5-[C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-pyridinyl]oxymethyl]pyrrolidine-2,5-dione
CID 118954280
4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 24690580
(E)-N-[(4-methylphenyl)methoxy]-1-[6-[[1-(oxan-4-ylmethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]ethanimine
CID 118975040
6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide
CID 52534295
N-[[3-methoxy-4-(trifluoromethyl)phenyl]methoxy]-1-[6-(2H-tetrazol-5-ylmethoxy)-3-pyridinyl]ethanimine
CID 118954275

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-[[5-[(E)-N-[(4-ethoxyphenyl)methoxy]-C-methylcarbonimidoyl]-2-pyridinyl]oxy]ethanimidamide?
The IUPAC name of N'-amino-2-[[5-[(E)-N-[(4-ethoxyphenyl)methoxy]-C-methylcarbonimidoyl]-2-pyridinyl]oxy]ethanimidamide (CID 134388914) is N'-amino-2-[[5-[(E)-N-[(4-ethoxyphenyl)methoxy]-C-methylcarbonimidoyl]-2-pyridinyl]oxy]ethanimidamide.
What is the SMILES notation for N'-amino-2-[[5-[(E)-N-[(4-ethoxyphenyl)methoxy]-C-methylcarbonimidoyl]-2-pyridinyl]oxy]ethanimidamide?
The canonical SMILES for N'-amino-2-[[5-[(E)-N-[(4-ethoxyphenyl)methoxy]-C-methylcarbonimidoyl]-2-pyridinyl]oxy]ethanimidamide is CCOc1ccc(CO/N=C(\C)c2ccc(OC/C(N)=N/N)nc2)cc1.
What is the InChIKey of N'-amino-2-[[5-[(E)-N-[(4-ethoxyphenyl)methoxy]-C-methylcarbonimidoyl]-2-pyridinyl]oxy]ethanimidamide?
The InChIKey is NOGLYFULFUBTGU-YDZHTSKRSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-3-24-16-7-4-14(5-8-16)11-26-23-13(2)15-6-9-18(21-10-15)25-12-17(19)22-20/h4-10H,3,11-12,20H2,1-2H3,(H2,19,22)/b23-13+.
What are the key properties of N'-amino-2-[[5-[(E)-N-[(4-ethoxyphenyl)methoxy]-C-methylcarbonimidoyl]-2-pyridinyl]oxy]ethanimidamide?
N'-amino-2-[[5-[(E)-N-[(4-ethoxyphenyl)methoxy]-C-methylcarbonimidoyl]-2-pyridinyl]oxy]ethanimidamide has a molecular weight of 357.41 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-[[5-[(E)-N-[(4-ethoxyphenyl)methoxy]-C-methylcarbonimidoyl]-2-pyridinyl]oxy]ethanimidamide is sourced from PubChem (CID 134388914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).