N-[[2-[(4-methylphenyl)methyl]phenyl]-pyridin-3-ylmethylidene]hydroxylamine

C20H18N2O — CID 88606165

IUPACN-[[2-[(4-methylphenyl)methyl]phenyl]-pyridin-3-ylmethylidene]hydroxylamine
SMILESCc1ccc(Cc2ccccc2C(=NO)c2cccnc2)cc1
InChIInChI=1S/C20H18N2O/c1-15-8-10-16(11-9-15)13-17-5-2-3-7-19(17)20(22-23)18-6-4-12-21-14-18/h2-12,14,23H,13H2,1H3
InChIKeySZHHEHBOFILZCO-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.21
Rot. Bonds4

About N-[[2-[(4-methylphenyl)methyl]phenyl]-pyridin-3-ylmethylidene]hydroxylamine

N-[[2-[(4-methylphenyl)methyl]phenyl]-pyridin-3-ylmethylidene]hydroxylamine (PubChem CID 88606165) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[[2-[(4-methylphenyl)methyl]phenyl]-pyridin-3-ylmethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-[(4-methylphenyl)methyl]phenyl]-pyridin-3-ylmethylidene]hydroxylamine
PubChem CID88606165
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC NameN-[[2-[(4-methylphenyl)methyl]phenyl]-pyridin-3-ylmethylidene]hydroxylamine
SMILESCc1ccc(Cc2ccccc2C(=NO)c2cccnc2)cc1
InChIInChI=1S/C20H18N2O/c1-15-8-10-16(11-9-15)13-17-5-2-3-7-19(17)20(22-23)18-6-4-12-21-14-18/h2-12,14,23H,13H2,1H3
InChIKeySZHHEHBOFILZCO-UHFFFAOYSA-N
XLogP4.21
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[pyridin-3-yl(pyridin-4-yl)methylidene]hydroxylamine
CID 137097951
2-[(4-methylphenyl)methyl]benzoate
CID 7039635
N-methyl-2-[(4-methylphenyl)methyl]benzamide
CID 3722320
N-[pyridin-2-yl(pyridin-3-yl)methylidene]hydroxylamine
CID 137225687
[4-[[6-(4-methylbenzoyl)-3-pyridinyl]methyl]phenyl]-pyridin-3-ylmethanone
CID 167295768
(NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine
CID 12003652
(NZ)-N-[(4-methylphenyl)-phenylmethylidene]hydroxylamine
CID 6303063
5-methyl-2-(pyridin-3-ylmethyl)benzoic acid
CID 104736791
N-[2-[3-(4-methylphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 108925345
1-[2-[(E)-N-hydroxy-C-(4-methylphenyl)carbonimidoyl]phenyl]-3-phenylpropane-1,3-dione
CID 11783265
2-(hydroxymethyl)-4-[(Z)-N-hydroxy-C-pyridin-3-ylcarbonimidoyl]-N-methylbenzeneamine oxide
CID 172986202
N-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-N-phenylbenzamide
CID 156791791

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylphenyl)methyl]phenyl]-pyridin-3-ylmethylidene]hydroxylamine?
The IUPAC name of N-[[2-[(4-methylphenyl)methyl]phenyl]-pyridin-3-ylmethylidene]hydroxylamine (CID 88606165) is N-[[2-[(4-methylphenyl)methyl]phenyl]-pyridin-3-ylmethylidene]hydroxylamine.
What is the SMILES notation for N-[[2-[(4-methylphenyl)methyl]phenyl]-pyridin-3-ylmethylidene]hydroxylamine?
The canonical SMILES for N-[[2-[(4-methylphenyl)methyl]phenyl]-pyridin-3-ylmethylidene]hydroxylamine is Cc1ccc(Cc2ccccc2C(=NO)c2cccnc2)cc1.
What is the InChIKey of N-[[2-[(4-methylphenyl)methyl]phenyl]-pyridin-3-ylmethylidene]hydroxylamine?
The InChIKey is SZHHEHBOFILZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-15-8-10-16(11-9-15)13-17-5-2-3-7-19(17)20(22-23)18-6-4-12-21-14-18/h2-12,14,23H,13H2,1H3.
What are the key properties of N-[[2-[(4-methylphenyl)methyl]phenyl]-pyridin-3-ylmethylidene]hydroxylamine?
N-[[2-[(4-methylphenyl)methyl]phenyl]-pyridin-3-ylmethylidene]hydroxylamine has a molecular weight of 302.38 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylphenyl)methyl]phenyl]-pyridin-3-ylmethylidene]hydroxylamine is sourced from PubChem (CID 88606165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).