2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide

C14H13N3O2 — CID 3543877

IUPAC2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide
SMILESO=C(COc1ccccc1)NN=Cc1ccncc1
InChIInChI=1S/C14H13N3O2/c18-14(11-19-13-4-2-1-3-5-13)17-16-10-12-6-8-15-9-7-12/h1-10H,11H2,(H,17,18)
InChIKeyPHMDAEZEBANTGH-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.61
Rot. Bonds5

About 2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide

2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide (PubChem CID 3543877) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide
PubChem CID3543877
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide
SMILESO=C(COc1ccccc1)NN=Cc1ccncc1
InChIInChI=1S/C14H13N3O2/c18-14(11-19-13-4-2-1-3-5-13)17-16-10-12-6-8-15-9-7-12/h1-10H,11H2,(H,17,18)
InChIKeyPHMDAEZEBANTGH-UHFFFAOYSA-N
XLogP1.61
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
CID 92663646
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 2695082
N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 6106681
N-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide
CID 3520224
2-(2,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 3296653
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
N-tert-butyl-2-[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide
CID 126003683
N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide
CID 5334518
phenyl N-(pyridin-4-ylmethylideneamino)carbamate
CID 54502700
N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 5418273
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6048328

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide?
The IUPAC name of 2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide (CID 3543877) is 2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide?
The canonical SMILES for 2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide is O=C(COc1ccccc1)NN=Cc1ccncc1.
What is the InChIKey of 2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide?
The InChIKey is PHMDAEZEBANTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-14(11-19-13-4-2-1-3-5-13)17-16-10-12-6-8-15-9-7-12/h1-10H,11H2,(H,17,18).
What are the key properties of 2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide?
2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide has a molecular weight of 255.28 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide is sourced from PubChem (CID 3543877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).