N-phenyl-N-(pyridin-3-ylmethylideneamino)aniline

C18H15N3 — CID 4985790

IUPACN-phenyl-N-(pyridin-3-ylmethylideneamino)aniline
SMILESC(=NN(c1ccccc1)c1ccccc1)c1cccnc1
InChIInChI=1S/C18H15N3/c1-3-9-17(10-4-1)21(18-11-5-2-6-12-18)20-15-16-8-7-13-19-14-16/h1-15H
InChIKeyDHWBOCDIAWHLLP-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.25
Rot. Bonds4

About N-phenyl-N-(pyridin-3-ylmethylideneamino)aniline

N-phenyl-N-(pyridin-3-ylmethylideneamino)aniline (PubChem CID 4985790) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-phenyl-N-(pyridin-3-ylmethylideneamino)aniline.

Molecular Properties

Compound NameN-phenyl-N-(pyridin-3-ylmethylideneamino)aniline
PubChem CID4985790
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC NameN-phenyl-N-(pyridin-3-ylmethylideneamino)aniline
SMILESC(=NN(c1ccccc1)c1ccccc1)c1cccnc1
InChIInChI=1S/C18H15N3/c1-3-9-17(10-4-1)21(18-11-5-2-6-12-18)20-15-16-8-7-13-19-14-16/h1-15H
InChIKeyDHWBOCDIAWHLLP-UHFFFAOYSA-N
XLogP4.25
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.25
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

3-(4-phenylbuta-1,3-dienyl)pyridine
CID 71359861
N-[(Z)-pyridin-3-ylmethylideneamino]aniline
CID 5375484
2-(pyridin-3-ylmethylideneamino)acetic acid
CID 45082526
1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine
CID 660525
3-[(diphenylphosphinothioylhydrazinylidene)methyl]pyridine
CID 2350724
N-(4-phenoxyphenyl)-1-pyridin-3-ylmethanimine
CID 23903931
1-phenyl-N-(pyridin-3-ylmethylideneamino)methanamine
CID 110839910
N-phenyl-N-(thiophen-2-ylmethylideneamino)aniline
CID 70556050
2-(pyridin-3-ylmethylideneamino)-N,N-bis[2-(pyridin-3-ylmethylideneamino)ethyl]ethanamine
CID 69234303
2-[(E)-pyridin-3-ylmethylideneamino]guanidine;hydrochloride
CID 54609066
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-N-phenylaniline
CID 8972029
N-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-pyridin-3-ylmethanimine
CID 786981

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(pyridin-3-ylmethylideneamino)aniline?
The IUPAC name of N-phenyl-N-(pyridin-3-ylmethylideneamino)aniline (CID 4985790) is N-phenyl-N-(pyridin-3-ylmethylideneamino)aniline.
What is the SMILES notation for N-phenyl-N-(pyridin-3-ylmethylideneamino)aniline?
The canonical SMILES for N-phenyl-N-(pyridin-3-ylmethylideneamino)aniline is C(=NN(c1ccccc1)c1ccccc1)c1cccnc1.
What is the InChIKey of N-phenyl-N-(pyridin-3-ylmethylideneamino)aniline?
The InChIKey is DHWBOCDIAWHLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-3-9-17(10-4-1)21(18-11-5-2-6-12-18)20-15-16-8-7-13-19-14-16/h1-15H.
What are the key properties of N-phenyl-N-(pyridin-3-ylmethylideneamino)aniline?
N-phenyl-N-(pyridin-3-ylmethylideneamino)aniline has a molecular weight of 273.34 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(pyridin-3-ylmethylideneamino)aniline is sourced from PubChem (CID 4985790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).