N-benzyl-N-[(Z)-1-pyridin-3-ylethylideneamino]aniline

C20H19N3 — CID 6008796

IUPACN-benzyl-N-[(Z)-1-pyridin-3-ylethylideneamino]aniline
SMILESC/C(=N/N(Cc1ccccc1)c1ccccc1)c1cccnc1
InChIInChI=1S/C20H19N3/c1-17(19-11-8-14-21-15-19)22-23(20-12-6-3-7-13-20)16-18-9-4-2-5-10-18/h2-15H,16H2,1H3/b22-17-
InChIKeyLEUHDQXRMQCSNL-XLNRJJMWSA-N
MW301.39 g/mol
LogP4.51
Rot. Bonds5

About N-benzyl-N-[(Z)-1-pyridin-3-ylethylideneamino]aniline

N-benzyl-N-[(Z)-1-pyridin-3-ylethylideneamino]aniline (PubChem CID 6008796) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-benzyl-N-[(Z)-1-pyridin-3-ylethylideneamino]aniline.

Molecular Properties

Compound NameN-benzyl-N-[(Z)-1-pyridin-3-ylethylideneamino]aniline
PubChem CID6008796
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC NameN-benzyl-N-[(Z)-1-pyridin-3-ylethylideneamino]aniline
SMILESC/C(=N/N(Cc1ccccc1)c1ccccc1)c1cccnc1
InChIInChI=1S/C20H19N3/c1-17(19-11-8-14-21-15-19)22-23(20-12-6-3-7-13-20)16-18-9-4-2-5-10-18/h2-15H,16H2,1H3/b22-17-
InChIKeyLEUHDQXRMQCSNL-XLNRJJMWSA-N
XLogP4.51
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.51
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

N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
CID 5405316
N,N-dibenzylpyridine-3-carbothioamide
CID 125491069
N'-benzyl-N'-phenylpyridine-3-carbohydrazide
CID 51156325
2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
CID 5414702
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
(2Z)-1,2-diphenyl-2-[(Z)-1-pyridin-3-ylethylidenehydrazinylidene]ethanone
CID 6524389
N-benzylpyridine-3-carbohydrazide;hydrochloride
CID 173445045
N-methoxy-1-pyridin-3-ylethanimine
CID 57395319
(Z)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)ethanimine
CID 6081356
2-(4-benzylpiperazin-1-yl)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 1185544

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(Z)-1-pyridin-3-ylethylideneamino]aniline?
The IUPAC name of N-benzyl-N-[(Z)-1-pyridin-3-ylethylideneamino]aniline (CID 6008796) is N-benzyl-N-[(Z)-1-pyridin-3-ylethylideneamino]aniline.
What is the SMILES notation for N-benzyl-N-[(Z)-1-pyridin-3-ylethylideneamino]aniline?
The canonical SMILES for N-benzyl-N-[(Z)-1-pyridin-3-ylethylideneamino]aniline is C/C(=N/N(Cc1ccccc1)c1ccccc1)c1cccnc1.
What is the InChIKey of N-benzyl-N-[(Z)-1-pyridin-3-ylethylideneamino]aniline?
The InChIKey is LEUHDQXRMQCSNL-XLNRJJMWSA-N. The full InChI is InChI=1S/C20H19N3/c1-17(19-11-8-14-21-15-19)22-23(20-12-6-3-7-13-20)16-18-9-4-2-5-10-18/h2-15H,16H2,1H3/b22-17-.
What are the key properties of N-benzyl-N-[(Z)-1-pyridin-3-ylethylideneamino]aniline?
N-benzyl-N-[(Z)-1-pyridin-3-ylethylideneamino]aniline has a molecular weight of 301.39 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(Z)-1-pyridin-3-ylethylideneamino]aniline is sourced from PubChem (CID 6008796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).