2-[(3,6-dimethyl-5-phenyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide

C23H28N4O2 — CID 144784393

IUPAC2-[(3,6-dimethyl-5-phenyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide
SMILESCNc1cccc(C)c1COc1nc(C)c(-c2ccccc2)cc1C.NNC=O
InChIInChI=1S/C22H24N2O.CH4N2O/c1-15-9-8-12-21(23-4)20(15)14-25-22-16(2)13-19(17(3)24-22)18-10-6-5-7-11-18;2-3-1-4/h5-13,23H,14H2,1-4H3;1H,2H2,(H,3,4)
InChIKeySKABSKAARAOTFQ-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.90
Rot. Bonds6

About 2-[(3,6-dimethyl-5-phenyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide

2-[(3,6-dimethyl-5-phenyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide (PubChem CID 144784393) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[(3,6-dimethyl-5-phenyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide.

Molecular Properties

Compound Name2-[(3,6-dimethyl-5-phenyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide
PubChem CID144784393
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-[(3,6-dimethyl-5-phenyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide
SMILESCNc1cccc(C)c1COc1nc(C)c(-c2ccccc2)cc1C.NNC=O
InChIInChI=1S/C22H24N2O.CH4N2O/c1-15-9-8-12-21(23-4)20(15)14-25-22-16(2)13-19(17(3)24-22)18-10-6-5-7-11-18;2-3-1-4/h5-13,23H,14H2,1-4H3;1H,2H2,(H,3,4)
InChIKeySKABSKAARAOTFQ-UHFFFAOYSA-N
XLogP3.90
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide
CID 144784046
formohydrazide;3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 144784892
2-[(6-ethyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide
CID 144784105
3-chloro-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;ethane;formohydrazide
CID 144784090
1-[2-[(3,6-dimethyl-5-phenyl-2-pyridinyl)oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 121374924
N,3-dimethyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144784540
methanethiohydrazide;2-[[5-(4-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-N,3-dimethylaniline
CID 144783805
2-[[4-(5-chloro-2-pyridinyl)-2-methylphenoxy]methyl]-N,3-dimethylaniline;formohydrazide
CID 144772924
1-amino-3-[2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methylphenyl]urea
CID 144784562
3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 129110182
2,3,6-trimethyl-5-phenylpyridine
CID 102473268
3-bromo-N-methyl-2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline;ethane;formohydrazide
CID 144784532

Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dimethyl-5-phenyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide?
The IUPAC name of 2-[(3,6-dimethyl-5-phenyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide (CID 144784393) is 2-[(3,6-dimethyl-5-phenyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide.
What is the SMILES notation for 2-[(3,6-dimethyl-5-phenyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide?
The canonical SMILES for 2-[(3,6-dimethyl-5-phenyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide is CNc1cccc(C)c1COc1nc(C)c(-c2ccccc2)cc1C.NNC=O.
What is the InChIKey of 2-[(3,6-dimethyl-5-phenyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide?
The InChIKey is SKABSKAARAOTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O.CH4N2O/c1-15-9-8-12-21(23-4)20(15)14-25-22-16(2)13-19(17(3)24-22)18-10-6-5-7-11-18;2-3-1-4/h5-13,23H,14H2,1-4H3;1H,2H2,(H,3,4).
What are the key properties of 2-[(3,6-dimethyl-5-phenyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide?
2-[(3,6-dimethyl-5-phenyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide has a molecular weight of 392.50 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dimethyl-5-phenyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide is sourced from PubChem (CID 144784393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).