3,5-dichloro-N-[(3-phenoxyphenyl)methylideneamino]pyridin-4-amine

C18H13Cl2N3O — CID 3929502

IUPAC3,5-dichloro-N-[(3-phenoxyphenyl)methylideneamino]pyridin-4-amine
SMILESClc1cncc(Cl)c1NN=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H13Cl2N3O/c19-16-11-21-12-17(20)18(16)23-22-10-13-5-4-8-15(9-13)24-14-6-2-1-3-7-14/h1-12H,(H,21,23)
InChIKeyOYXSNGZSVXBPGV-UHFFFAOYSA-N
MW358.23 g/mol
LogP5.63
Rot. Bonds5

About 3,5-dichloro-N-[(3-phenoxyphenyl)methylideneamino]pyridin-4-amine

3,5-dichloro-N-[(3-phenoxyphenyl)methylideneamino]pyridin-4-amine (PubChem CID 3929502) has the molecular formula C18H13Cl2N3O and a molecular weight of 358.23 g/mol. Its IUPAC name is 3,5-dichloro-N-[(3-phenoxyphenyl)methylideneamino]pyridin-4-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[(3-phenoxyphenyl)methylideneamino]pyridin-4-amine
PubChem CID3929502
Molecular FormulaC18H13Cl2N3O
Molecular Weight358.23 g/mol
Exact Mass357.04
IUPAC Name3,5-dichloro-N-[(3-phenoxyphenyl)methylideneamino]pyridin-4-amine
SMILESClc1cncc(Cl)c1NN=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H13Cl2N3O/c19-16-11-21-12-17(20)18(16)23-22-10-13-5-4-8-15(9-13)24-14-6-2-1-3-7-14/h1-12H,(H,21,23)
InChIKeyOYXSNGZSVXBPGV-UHFFFAOYSA-N
XLogP5.63
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.23
LogP ≤ 55.63
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

3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline
CID 78597614
5-chloro-4-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 6247441
5-chloro-4-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790376
4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride
CID 73242918
3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine
CID 2726346
N-[(Z)-(3-phenoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6411688
N-[(3-phenoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 4151139
3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 94847748
3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 4675648
N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
N-[[3-(3,5-dichlorophenoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577542
N-(2-chlorophenyl)-5-nitroso-2-[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 89026371

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(3-phenoxyphenyl)methylideneamino]pyridin-4-amine?
The IUPAC name of 3,5-dichloro-N-[(3-phenoxyphenyl)methylideneamino]pyridin-4-amine (CID 3929502) is 3,5-dichloro-N-[(3-phenoxyphenyl)methylideneamino]pyridin-4-amine.
What is the SMILES notation for 3,5-dichloro-N-[(3-phenoxyphenyl)methylideneamino]pyridin-4-amine?
The canonical SMILES for 3,5-dichloro-N-[(3-phenoxyphenyl)methylideneamino]pyridin-4-amine is Clc1cncc(Cl)c1NN=Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3,5-dichloro-N-[(3-phenoxyphenyl)methylideneamino]pyridin-4-amine?
The InChIKey is OYXSNGZSVXBPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O/c19-16-11-21-12-17(20)18(16)23-22-10-13-5-4-8-15(9-13)24-14-6-2-1-3-7-14/h1-12H,(H,21,23).
What are the key properties of 3,5-dichloro-N-[(3-phenoxyphenyl)methylideneamino]pyridin-4-amine?
3,5-dichloro-N-[(3-phenoxyphenyl)methylideneamino]pyridin-4-amine has a molecular weight of 358.23 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(3-phenoxyphenyl)methylideneamino]pyridin-4-amine is sourced from PubChem (CID 3929502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).