N-(4-phenoxyphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide

C20H16N4O3 — CID 94833523

IUPACN-(4-phenoxyphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide
SMILESO=C(N/N=C\c1ccncc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H16N4O3/c25-19(20(26)24-22-14-15-10-12-21-13-11-15)23-16-6-8-18(9-7-16)27-17-4-2-1-3-5-17/h1-14H,(H,23,25)(H,24,26)/b22-14-
InChIKeyHYRQBGGDKVPROJ-HMAPJEAMSA-N
MW360.37 g/mol
LogP2.96
Rot. Bonds5

About N-(4-phenoxyphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide

N-(4-phenoxyphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide (PubChem CID 94833523) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide
PubChem CID94833523
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC NameN-(4-phenoxyphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide
SMILESO=C(N/N=C\c1ccncc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H16N4O3/c25-19(20(26)24-22-14-15-10-12-21-13-11-15)23-16-6-8-18(9-7-16)27-17-4-2-1-3-5-17/h1-14H,(H,23,25)(H,24,26)/b22-14-
InChIKeyHYRQBGGDKVPROJ-HMAPJEAMSA-N
XLogP2.96
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide
CID 21229401
N-(4-fluorophenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide
CID 6019949
N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-4-yloxamide
CID 154631892
phenyl N-(pyridin-4-ylmethylideneamino)carbamate
CID 54502700
1-[(E)-benzylideneamino]-3-pyridin-4-ylurea
CID 10243365
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide
CID 94846395
N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide
CID 94846398
2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide
CID 3543877
[(E)-[4-(4-phenoxyphenoxy)phenyl]methylideneamino]urea
CID 10593753
N-methyl-N'-(4-phenoxyphenyl)oxamide
CID 2203829
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 94832791
[(E)-pyridin-4-ylmethylideneamino]carbamic acid
CID 19830229

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide?
The IUPAC name of N-(4-phenoxyphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide (CID 94833523) is N-(4-phenoxyphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide?
The canonical SMILES for N-(4-phenoxyphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide is O=C(N/N=C\c1ccncc1)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(4-phenoxyphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide?
The InChIKey is HYRQBGGDKVPROJ-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H16N4O3/c25-19(20(26)24-22-14-15-10-12-21-13-11-15)23-16-6-8-18(9-7-16)27-17-4-2-1-3-5-17/h1-14H,(H,23,25)(H,24,26)/b22-14-.
What are the key properties of N-(4-phenoxyphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide?
N-(4-phenoxyphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide has a molecular weight of 360.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide is sourced from PubChem (CID 94833523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).