N'-hydroxy-2-methyl-6-[pentyl(propan-2-yl)amino]pyridine-4-carboximidamide

C15H26N4O — CID 137013492

IUPACN'-hydroxy-2-methyl-6-[pentyl(propan-2-yl)amino]pyridine-4-carboximidamide
SMILESCCCCCN(c1cc(/C(N)=N/O)cc(C)n1)C(C)C
InChIInChI=1S/C15H26N4O/c1-5-6-7-8-19(11(2)3)14-10-13(15(16)18-20)9-12(4)17-14/h9-11,20H,5-8H2,1-4H3,(H2,16,18)
InChIKeyNEMXQXVGHFXDDD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.89
Rot. Bonds7

About N'-hydroxy-2-methyl-6-[pentyl(propan-2-yl)amino]pyridine-4-carboximidamide

N'-hydroxy-2-methyl-6-[pentyl(propan-2-yl)amino]pyridine-4-carboximidamide (PubChem CID 137013492) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-6-[pentyl(propan-2-yl)amino]pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-6-[pentyl(propan-2-yl)amino]pyridine-4-carboximidamide
PubChem CID137013492
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN'-hydroxy-2-methyl-6-[pentyl(propan-2-yl)amino]pyridine-4-carboximidamide
SMILESCCCCCN(c1cc(/C(N)=N/O)cc(C)n1)C(C)C
InChIInChI=1S/C15H26N4O/c1-5-6-7-8-19(11(2)3)14-10-13(15(16)18-20)9-12(4)17-14/h9-11,20H,5-8H2,1-4H3,(H2,16,18)
InChIKeyNEMXQXVGHFXDDD-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-6-[pentyl(propan-2-yl)amino]pyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-methyl-6-[pentyl(propan-2-yl)amino]pyridine-4-carboximidamide (CID 137013492) is N'-hydroxy-2-methyl-6-[pentyl(propan-2-yl)amino]pyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-6-[pentyl(propan-2-yl)amino]pyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-methyl-6-[pentyl(propan-2-yl)amino]pyridine-4-carboximidamide is CCCCCN(c1cc(/C(N)=N/O)cc(C)n1)C(C)C.
What is the InChIKey of N'-hydroxy-2-methyl-6-[pentyl(propan-2-yl)amino]pyridine-4-carboximidamide?
The InChIKey is NEMXQXVGHFXDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-6-7-8-19(11(2)3)14-10-13(15(16)18-20)9-12(4)17-14/h9-11,20H,5-8H2,1-4H3,(H2,16,18).
What are the key properties of N'-hydroxy-2-methyl-6-[pentyl(propan-2-yl)amino]pyridine-4-carboximidamide?
N'-hydroxy-2-methyl-6-[pentyl(propan-2-yl)amino]pyridine-4-carboximidamide has a molecular weight of 278.40 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-6-[pentyl(propan-2-yl)amino]pyridine-4-carboximidamide is sourced from PubChem (CID 137013492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).