2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide

C21H19N3O2 — CID 840449

IUPAC2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide
SMILESCOc1ccc(CC(=O)NN=C(c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C21H19N3O2/c1-26-19-9-7-16(8-10-19)15-20(25)23-24-21(17-5-3-2-4-6-17)18-11-13-22-14-12-18/h2-14H,15H2,1H3,(H,23,25)
InChIKeyRUBDLUQVTUUWQD-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.20
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide

2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide (PubChem CID 840449) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide
PubChem CID840449
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide
SMILESCOc1ccc(CC(=O)NN=C(c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C21H19N3O2/c1-26-19-9-7-16(8-10-19)15-20(25)23-24-21(17-5-3-2-4-6-17)18-11-13-22-14-12-18/h2-14H,15H2,1H3,(H,23,25)
InChIKeyRUBDLUQVTUUWQD-UHFFFAOYSA-N
XLogP3.20
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.20
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

N-(benzhydrylideneamino)hydroxylamine;4-methoxypyridine
CID 161458787
N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 24839653
2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide
CID 3467394
N-[[phenyl(pyridin-4-yl)methylidene]amino]dodecanamide
CID 5002816
2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 4228325
2-methoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide;hydrochloride
CID 88671183
2-(2-methyl-1H-indol-3-yl)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]acetamide
CID 27876405
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 3660040
[(E)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate
CID 5340818
N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 968760
N-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide
CID 2288457
N-[1-(4-ethylphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4247577

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide (CID 840449) is 2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide is COc1ccc(CC(=O)NN=C(c2ccccc2)c2ccncc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide?
The InChIKey is RUBDLUQVTUUWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-26-19-9-7-16(8-10-19)15-20(25)23-24-21(17-5-3-2-4-6-17)18-11-13-22-14-12-18/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of 2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide?
2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide has a molecular weight of 345.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide is sourced from PubChem (CID 840449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).