N-(benzhydrylideneamino)hydroxylamine;4-methoxypyridine

C19H19N3O2 — CID 161458787

IUPACN-(benzhydrylideneamino)hydroxylamine;4-methoxypyridine
SMILESCOc1ccncc1.ONN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12N2O.C6H7NO/c16-15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-8-6-2-4-7-5-3-6/h1-10,15-16H;2-5H,1H3
InChIKeyWBNFFBLSLKTNGH-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.51
Rot. Bonds4

About N-(benzhydrylideneamino)hydroxylamine;4-methoxypyridine

N-(benzhydrylideneamino)hydroxylamine;4-methoxypyridine (PubChem CID 161458787) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(benzhydrylideneamino)hydroxylamine;4-methoxypyridine.

Molecular Properties

Compound NameN-(benzhydrylideneamino)hydroxylamine;4-methoxypyridine
PubChem CID161458787
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(benzhydrylideneamino)hydroxylamine;4-methoxypyridine
SMILESCOc1ccncc1.ONN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12N2O.C6H7NO/c16-15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-8-6-2-4-7-5-3-6/h1-10,15-16H;2-5H,1H3
InChIKeyWBNFFBLSLKTNGH-UHFFFAOYSA-N
XLogP3.51
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide
CID 840449
N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 24839653
N-(benzhydrylideneamino)-4-methoxypyridin-2-amine
CID 59186968
2-methoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide;hydrochloride
CID 88671183
[(E)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate
CID 5340818
N'-[[phenyl(pyridin-4-yl)methylidene]amino]oxamide
CID 4192624
iodobenzene;4-methoxypyridine
CID 142130779
CID 159103902
CID 159103902
3-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6522388
N-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide
CID 2288457
4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine
CID 121329846
N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide
CID 7256390

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)hydroxylamine;4-methoxypyridine?
The IUPAC name of N-(benzhydrylideneamino)hydroxylamine;4-methoxypyridine (CID 161458787) is N-(benzhydrylideneamino)hydroxylamine;4-methoxypyridine.
What is the SMILES notation for N-(benzhydrylideneamino)hydroxylamine;4-methoxypyridine?
The canonical SMILES for N-(benzhydrylideneamino)hydroxylamine;4-methoxypyridine is COc1ccncc1.ONN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzhydrylideneamino)hydroxylamine;4-methoxypyridine?
The InChIKey is WBNFFBLSLKTNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O.C6H7NO/c16-15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-8-6-2-4-7-5-3-6/h1-10,15-16H;2-5H,1H3.
What are the key properties of N-(benzhydrylideneamino)hydroxylamine;4-methoxypyridine?
N-(benzhydrylideneamino)hydroxylamine;4-methoxypyridine has a molecular weight of 321.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)hydroxylamine;4-methoxypyridine is sourced from PubChem (CID 161458787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).