N-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]aniline

C19H17N3 — CID 90750813

IUPACN-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]aniline
SMILESCN(N=C(c1ccccc1)c1ccccn1)c1ccccc1
InChIInChI=1S/C19H17N3/c1-22(17-12-6-3-7-13-17)21-19(16-10-4-2-5-11-16)18-14-8-9-15-20-18/h2-15H,1H3
InChIKeyOBIQMBBSZNPIJT-UHFFFAOYSA-N
MW287.37 g/mol
LogP3.97
Rot. Bonds4

About N-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]aniline

N-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]aniline (PubChem CID 90750813) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is N-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]aniline.

Molecular Properties

Compound NameN-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]aniline
PubChem CID90750813
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC NameN-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]aniline
SMILESCN(N=C(c1ccccc1)c1ccccn1)c1ccccc1
InChIInChI=1S/C19H17N3/c1-22(17-12-6-3-7-13-17)21-19(16-10-4-2-5-11-16)18-14-8-9-15-20-18/h2-15H,1H3
InChIKeyOBIQMBBSZNPIJT-UHFFFAOYSA-N
XLogP3.97
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(NZ)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
CID 135427108
cerium(3+);tris(N-oxido-1-phenyl-1-pyridin-2-ylmethanimine)
CID 50910437
cerium(3+);tris((E)-N-oxido-1-phenyl-1-pyridin-2-ylmethanimine);chloride
CID 54608591
N-methyl-N-[[2-[methyl(phenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]aniline
CID 4287495
4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6524785
1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine
CID 102238244
N-(benzhydrylideneamino)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)aniline
CID 177199460
N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
CID 6512079
methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 5103078
N-methyl-N-[(Z)-[(2Z)-2-[methyl(phenyl)hydrazinylidene]-2-phenylethylidene]amino]aniline
CID 40540962
dichlorocopper;[dimethylamino(sulfoniumylidene)methyl]-[[phenyl(pyridin-2-yl)methylidene]amino]azanide
CID 3565596
N,N-diethyl-2-[[phenyl(pyridin-2-yl)methylidene]amino]oxyethanamine
CID 26478

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]aniline?
The IUPAC name of N-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]aniline (CID 90750813) is N-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]aniline.
What is the SMILES notation for N-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]aniline?
The canonical SMILES for N-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]aniline is CN(N=C(c1ccccc1)c1ccccn1)c1ccccc1.
What is the InChIKey of N-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]aniline?
The InChIKey is OBIQMBBSZNPIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3/c1-22(17-12-6-3-7-13-17)21-19(16-10-4-2-5-11-16)18-14-8-9-15-20-18/h2-15H,1H3.
What are the key properties of N-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]aniline?
N-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]aniline has a molecular weight of 287.37 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]aniline is sourced from PubChem (CID 90750813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).