2-methoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide;hydrochloride

C20H18ClN3O2 — CID 88671183

IUPAC2-methoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide;hydrochloride
SMILESCOc1ccccc1C(=O)NN=C(c1ccccc1)c1ccncc1.Cl
InChIInChI=1S/C20H17N3O2.ClH/c1-25-18-10-6-5-9-17(18)20(24)23-22-19(15-7-3-2-4-8-15)16-11-13-21-14-12-16;/h2-14H,1H3,(H,23,24);1H
InChIKeyBFMXNRDIGBMSPJ-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.69
Rot. Bonds5

About 2-methoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide;hydrochloride

2-methoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide;hydrochloride (PubChem CID 88671183) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-methoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide;hydrochloride.

Molecular Properties

Compound Name2-methoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide;hydrochloride
PubChem CID88671183
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name2-methoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide;hydrochloride
SMILESCOc1ccccc1C(=O)NN=C(c1ccccc1)c1ccncc1.Cl
InChIInChI=1S/C20H17N3O2.ClH/c1-25-18-10-6-5-9-17(18)20(24)23-22-19(15-7-3-2-4-8-15)16-11-13-21-14-12-16;/h2-14H,1H3,(H,23,24);1H
InChIKeyBFMXNRDIGBMSPJ-UHFFFAOYSA-N
XLogP3.69
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.69
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

N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 7937174
N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide
CID 7256390
N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 24839653
3-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6522388
3,4,5-triethoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 4105259
3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6872195
N-(benzhydrylideneamino)hydroxylamine;4-methoxypyridine
CID 161458787
2,4-dichloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 3429251
2-methoxy-N-(1-phenylpentylideneamino)benzamide
CID 4692149
N-(benzhydrylideneamino)-2-hydroxybenzamide
CID 24574931
N-[[phenyl(pyridin-4-yl)methylidene]amino]-1H-indole-3-carboxamide
CID 5082604
2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide
CID 840449

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide;hydrochloride?
The IUPAC name of 2-methoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide;hydrochloride (CID 88671183) is 2-methoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide;hydrochloride.
What is the SMILES notation for 2-methoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide;hydrochloride?
The canonical SMILES for 2-methoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide;hydrochloride is COc1ccccc1C(=O)NN=C(c1ccccc1)c1ccncc1.Cl.
What is the InChIKey of 2-methoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide;hydrochloride?
The InChIKey is BFMXNRDIGBMSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2.ClH/c1-25-18-10-6-5-9-17(18)20(24)23-22-19(15-7-3-2-4-8-15)16-11-13-21-14-12-16;/h2-14H,1H3,(H,23,24);1H.
What are the key properties of 2-methoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide;hydrochloride?
2-methoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide;hydrochloride has a molecular weight of 367.84 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide;hydrochloride is sourced from PubChem (CID 88671183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).