[[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]carbamoylhydrazinylidene]azanium

C21H22N5O2+ — CID 147594852

IUPAC[[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]carbamoylhydrazinylidene]azanium
SMILESCc1cccc(NC(=O)NN=[NH2+])c1COc1ccc(-c2ccccc2)c(C)n1
InChIInChI=1S/C21H21N5O2/c1-14-7-6-10-19(24-21(27)25-26-22)18(14)13-28-20-12-11-17(15(2)23-20)16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H3,22,24,25,27)/p+1
InChIKeyFYZGUBZKWSLWGW-UHFFFAOYSA-O
MW376.44 g/mol
LogP3.19
Rot. Bonds6

About [[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]carbamoylhydrazinylidene]azanium

[[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]carbamoylhydrazinylidene]azanium (PubChem CID 147594852) has the molecular formula C21H22N5O2+ and a molecular weight of 376.44 g/mol. Its IUPAC name is [[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]carbamoylhydrazinylidene]azanium.

Molecular Properties

Compound Name[[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]carbamoylhydrazinylidene]azanium
PubChem CID147594852
Molecular FormulaC21H22N5O2+
Molecular Weight376.44 g/mol
Exact Mass376.18
IUPAC Name[[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]carbamoylhydrazinylidene]azanium
SMILESCc1cccc(NC(=O)NN=[NH2+])c1COc1ccc(-c2ccccc2)c(C)n1
InChIInChI=1S/C21H21N5O2/c1-14-7-6-10-19(24-21(27)25-26-22)18(14)13-28-20-12-11-17(15(2)23-20)16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H3,22,24,25,27)/p+1
InChIKeyFYZGUBZKWSLWGW-UHFFFAOYSA-O
XLogP3.19
TPSA101.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-[2-[(6-chloro-2-pyridinyl)oxymethyl]-3-methylphenyl]urea
CID 144783811
1-methyl-4-[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-5H-tetrazol-5-ol
CID 134547916
4-(2-methyl-6-phenylmethoxy-3-pyridinyl)phenol
CID 170262262
1-[3-ethyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-4-methyltetrazol-5-one
CID 121374925
1-amino-3-[2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methylphenyl]urea
CID 144784562
2-[(3,6-dimethyl-5-phenyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide
CID 144784393
1-[2-[[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 121387065
2-[5-(2-methyl-6-phenylmethoxy-3-pyridinyl)-2-pyridinyl]ethanol
CID 170129555
N'-[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]acetohydrazide
CID 166544455
N-[2-(hydroxymethyl)-3-methylphenyl]acetamide
CID 14368464
ethane;N-[2-(hydroperoxymethyl)-3-methylphenyl]-4-methylthiadiazole-5-carboxamide
CID 90926144
1-amino-3-[2-[[4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]urea
CID 144773041

Frequently Asked Questions

What is the IUPAC name of [[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]carbamoylhydrazinylidene]azanium?
The IUPAC name of [[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]carbamoylhydrazinylidene]azanium (CID 147594852) is [[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]carbamoylhydrazinylidene]azanium.
What is the SMILES notation for [[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]carbamoylhydrazinylidene]azanium?
The canonical SMILES for [[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]carbamoylhydrazinylidene]azanium is Cc1cccc(NC(=O)NN=[NH2+])c1COc1ccc(-c2ccccc2)c(C)n1.
What is the InChIKey of [[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]carbamoylhydrazinylidene]azanium?
The InChIKey is FYZGUBZKWSLWGW-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H21N5O2/c1-14-7-6-10-19(24-21(27)25-26-22)18(14)13-28-20-12-11-17(15(2)23-20)16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H3,22,24,25,27)/p+1.
What are the key properties of [[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]carbamoylhydrazinylidene]azanium?
[[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]carbamoylhydrazinylidene]azanium has a molecular weight of 376.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]carbamoylhydrazinylidene]azanium is sourced from PubChem (CID 147594852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).