N'-hydroxy-2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboximidamide

C15H26N4O — CID 81054100

IUPACN'-hydroxy-2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboximidamide
SMILESCc1cc(N(CC(C)C)C(C)C)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C15H26N4O/c1-9(2)8-19(10(3)4)13-7-11(5)17-12(6)14(13)15(16)18-20/h7,9-10,20H,8H2,1-6H3,(H2,16,18)
InChIKeyNLUNIZFGDITEEU-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.66
Rot. Bonds5

About N'-hydroxy-2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboximidamide

N'-hydroxy-2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboximidamide (PubChem CID 81054100) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N'-hydroxy-2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboximidamide
PubChem CID81054100
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN'-hydroxy-2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboximidamide
SMILESCc1cc(N(CC(C)C)C(C)C)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C15H26N4O/c1-9(2)8-19(10(3)4)13-7-11(5)17-12(6)14(13)15(16)18-20/h7,9-10,20H,8H2,1-6H3,(H2,16,18)
InChIKeyNLUNIZFGDITEEU-UHFFFAOYSA-N
XLogP2.66
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.66
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

2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 81053301
N'-hydroxy-4-[1-methoxypropan-2-yl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81054520
N'-hydroxy-2,6-dimethyl-4-(3-methylbutylsulfanyl)pyridine-3-carboximidamide
CID 107749803
N'-hydroxy-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide
CID 81053895
N'-hydroxy-2,6-dimethyl-4-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide
CID 81054526
2,6-dimethyl-4-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboximidamide
CID 81037767
4-[bis(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide
CID 81054896
N'-hydroxy-4-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 76938828
4-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81054312
N'-hydroxy-2,6-dimethyl-4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide
CID 81038136
4-[cyclohexylmethyl(methyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81038134
N'-hydroxy-2,6-dimethyl-4-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide
CID 81035315

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboximidamide (CID 81054100) is N'-hydroxy-2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboximidamide is Cc1cc(N(CC(C)C)C(C)C)c(/C(N)=N/O)c(C)n1.
What is the InChIKey of N'-hydroxy-2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboximidamide?
The InChIKey is NLUNIZFGDITEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-9(2)8-19(10(3)4)13-7-11(5)17-12(6)14(13)15(16)18-20/h7,9-10,20H,8H2,1-6H3,(H2,16,18).
What are the key properties of N'-hydroxy-2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboximidamide?
N'-hydroxy-2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboximidamide has a molecular weight of 278.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboximidamide is sourced from PubChem (CID 81054100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).