N'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide

C15H17N3O2 — CID 61177131

IUPACN'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide
SMILESCc1cc(C)c(C(N)=NO)c(OCc2ccccc2)n1
InChIInChI=1S/C15H17N3O2/c1-10-8-11(2)17-15(13(10)14(16)18-19)20-9-12-6-4-3-5-7-12/h3-8,19H,9H2,1-2H3,(H2,16,18)
InChIKeyOVBKNJWHHVAVDO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.37
Rot. Bonds4

About N'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide

N'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide (PubChem CID 61177131) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide
PubChem CID61177131
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide
SMILESCc1cc(C)c(C(N)=NO)c(OCc2ccccc2)n1
InChIInChI=1S/C15H17N3O2/c1-10-8-11(2)17-15(13(10)14(16)18-19)20-9-12-6-4-3-5-7-12/h3-8,19H,9H2,1-2H3,(H2,16,18)
InChIKeyOVBKNJWHHVAVDO-UHFFFAOYSA-N
XLogP2.37
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone
CID 118546342
N'-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 104562174
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61228172
4,6-dimethyl-2-phenylmethoxypyridine-3-carboxylic acid;phenyl 4,6-dimethyl-2-phenylmethoxypyridine-3-carboxylate;2,4,6-trichlorobenzoyl chloride
CID 161026117
N'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
CID 61176184
2-(3-bromophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61176370
N'-hydroxy-2-(3-methoxyphenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175614
(3-amino-6-methyl-2-phenylmethoxy-4-pyridinyl)methanol
CID 139508361
2-(2-ethylhexoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61176560
N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide
CID 81278044
N'-hydroxy-2-(1-methoxypropan-2-yloxy)-4,6-dimethylpyridine-3-carboximidamide
CID 77015874
2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61176359

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide (CID 61177131) is N'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide is Cc1cc(C)c(C(N)=NO)c(OCc2ccccc2)n1.
What is the InChIKey of N'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide?
The InChIKey is OVBKNJWHHVAVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-8-11(2)17-15(13(10)14(16)18-19)20-9-12-6-4-3-5-7-12/h3-8,19H,9H2,1-2H3,(H2,16,18).
What are the key properties of N'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide?
N'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide has a molecular weight of 271.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide is sourced from PubChem (CID 61177131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).