N-[[2-[(4,6-dimethoxy-2-pyridinyl)oxy]phenyl]methylideneamino]aniline

C20H19N3O3 — CID 67848902

IUPACN-[[2-[(4,6-dimethoxy-2-pyridinyl)oxy]phenyl]methylideneamino]aniline
SMILESCOc1cc(OC)nc(Oc2ccccc2C=NNc2ccccc2)c1
InChIInChI=1S/C20H19N3O3/c1-24-17-12-19(25-2)22-20(13-17)26-18-11-7-6-8-15(18)14-21-23-16-9-4-3-5-10-16/h3-14,23H,1-2H3
InChIKeyUWQKNNHKMOEDNZ-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.34
Rot. Bonds7

About N-[[2-[(4,6-dimethoxy-2-pyridinyl)oxy]phenyl]methylideneamino]aniline

N-[[2-[(4,6-dimethoxy-2-pyridinyl)oxy]phenyl]methylideneamino]aniline (PubChem CID 67848902) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[[2-[(4,6-dimethoxy-2-pyridinyl)oxy]phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[2-[(4,6-dimethoxy-2-pyridinyl)oxy]phenyl]methylideneamino]aniline
PubChem CID67848902
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[[2-[(4,6-dimethoxy-2-pyridinyl)oxy]phenyl]methylideneamino]aniline
SMILESCOc1cc(OC)nc(Oc2ccccc2C=NNc2ccccc2)c1
InChIInChI=1S/C20H19N3O3/c1-24-17-12-19(25-2)22-20(13-17)26-18-11-7-6-8-15(18)14-21-23-16-9-4-3-5-10-16/h3-14,23H,1-2H3
InChIKeyUWQKNNHKMOEDNZ-UHFFFAOYSA-N
XLogP4.34
TPSA64.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline
CID 169381531
3-methoxy-4-[(phenylhydrazinylidene)methyl]phenol
CID 169381641
3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline
CID 7979466
N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]ethanamine
CID 67916512
N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-2,3-dimethylaniline
CID 4601155
N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline
CID 4212050
4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110508933
3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol
CID 4137951
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline
CID 110504926
N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 5062184
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 110337114
1-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-3-ethylurea
CID 3266951

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4,6-dimethoxy-2-pyridinyl)oxy]phenyl]methylideneamino]aniline?
The IUPAC name of N-[[2-[(4,6-dimethoxy-2-pyridinyl)oxy]phenyl]methylideneamino]aniline (CID 67848902) is N-[[2-[(4,6-dimethoxy-2-pyridinyl)oxy]phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[2-[(4,6-dimethoxy-2-pyridinyl)oxy]phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[2-[(4,6-dimethoxy-2-pyridinyl)oxy]phenyl]methylideneamino]aniline is COc1cc(OC)nc(Oc2ccccc2C=NNc2ccccc2)c1.
What is the InChIKey of N-[[2-[(4,6-dimethoxy-2-pyridinyl)oxy]phenyl]methylideneamino]aniline?
The InChIKey is UWQKNNHKMOEDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-24-17-12-19(25-2)22-20(13-17)26-18-11-7-6-8-15(18)14-21-23-16-9-4-3-5-10-16/h3-14,23H,1-2H3.
What are the key properties of N-[[2-[(4,6-dimethoxy-2-pyridinyl)oxy]phenyl]methylideneamino]aniline?
N-[[2-[(4,6-dimethoxy-2-pyridinyl)oxy]phenyl]methylideneamino]aniline has a molecular weight of 349.39 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4,6-dimethoxy-2-pyridinyl)oxy]phenyl]methylideneamino]aniline is sourced from PubChem (CID 67848902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).