2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methylphenyl)acetamide

C22H21ClN4O3 — CID 75264610

IUPAC2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CON=C(N)c2ccc(OCc3cccnc3)cc2)cc1Cl
InChIInChI=1S/C22H21ClN4O3/c1-15-4-7-18(11-20(15)23)26-21(28)14-30-27-22(24)17-5-8-19(9-6-17)29-13-16-3-2-10-25-12-16/h2-12H,13-14H2,1H3,(H2,24,27)(H,26,28)
InChIKeyIOKHOJUVSFXKPO-UHFFFAOYSA-N
MW424.89 g/mol
LogP3.90
Rot. Bonds8

About 2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methylphenyl)acetamide

2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 75264610) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is 2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID75264610
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC Name2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CON=C(N)c2ccc(OCc3cccnc3)cc2)cc1Cl
InChIInChI=1S/C22H21ClN4O3/c1-15-4-7-18(11-20(15)23)26-21(28)14-30-27-22(24)17-5-8-19(9-6-17)29-13-16-3-2-10-25-12-16/h2-12H,13-14H2,1H3,(H2,24,27)(H,26,28)
InChIKeyIOKHOJUVSFXKPO-UHFFFAOYSA-N
XLogP3.90
TPSA98.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

2-[(Z)-[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 99085781
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide
CID 7613199
N-naphthalen-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 71939692
2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 78905703
N'-[2-(3-chlorophenoxy)ethoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 52502341
N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 60602599
3-[[2-[(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N-cyclopropylbenzamide
CID 47079159
N'-[(3-bromo-2-chlorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 155968174
2-[(Z)-(1-amino-3-methylbutylidene)amino]oxy-N-(3-chloro-4-methylphenyl)acetamide
CID 47075164
N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 57368818
4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047684
N'-[2-(4-fluorophenoxy)ethoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 76877849

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methylphenyl)acetamide (CID 75264610) is 2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CON=C(N)c2ccc(OCc3cccnc3)cc2)cc1Cl.
What is the InChIKey of 2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is IOKHOJUVSFXKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c1-15-4-7-18(11-20(15)23)26-21(28)14-30-27-22(24)17-5-8-19(9-6-17)29-13-16-3-2-10-25-12-16/h2-12H,13-14H2,1H3,(H2,24,27)(H,26,28).
What are the key properties of 2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methylphenyl)acetamide?
2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 424.89 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 75264610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).