2-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide

C15H26N4O — CID 76916265

IUPAC2-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCCC(CC)CN(CC)c1nc(C)ccc1C(N)=NO
InChIInChI=1S/C15H26N4O/c1-5-12(6-2)10-19(7-3)15-13(14(16)18-20)9-8-11(4)17-15/h8-9,12,20H,5-7,10H2,1-4H3,(H2,16,18)
InChIKeyFRBDVHHILBGRFJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.75
Rot. Bonds7

About 2-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide

2-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide (PubChem CID 76916265) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
PubChem CID76916265
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCCC(CC)CN(CC)c1nc(C)ccc1C(N)=NO
InChIInChI=1S/C15H26N4O/c1-5-12(6-2)10-19(7-3)15-13(14(16)18-20)9-8-11(4)17-15/h8-9,12,20H,5-7,10H2,1-4H3,(H2,16,18)
InChIKeyFRBDVHHILBGRFJ-UHFFFAOYSA-N
XLogP2.75
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.75
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'}

Analyze 2-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide (CID 76916265) is 2-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide is CCC(CC)CN(CC)c1nc(C)ccc1C(N)=NO.
What is the InChIKey of 2-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The InChIKey is FRBDVHHILBGRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-12(6-2)10-19(7-3)15-13(14(16)18-20)9-8-11(4)17-15/h8-9,12,20H,5-7,10H2,1-4H3,(H2,16,18).
What are the key properties of 2-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
2-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide has a molecular weight of 278.40 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 76916265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).