N'-hydroxy-6-methyl-2-[methyl(pentyl)amino]pyridine-3-carboximidamide

C13H22N4O — CID 76916150

IUPACN'-hydroxy-6-methyl-2-[methyl(pentyl)amino]pyridine-3-carboximidamide
SMILESCCCCCN(C)c1nc(C)ccc1C(N)=NO
InChIInChI=1S/C13H22N4O/c1-4-5-6-9-17(3)13-11(12(14)16-18)8-7-10(2)15-13/h7-8,18H,4-6,9H2,1-3H3,(H2,14,16)
InChIKeyCVPSXHCVLVJIHE-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.11
Rot. Bonds6

About N'-hydroxy-6-methyl-2-[methyl(pentyl)amino]pyridine-3-carboximidamide

N'-hydroxy-6-methyl-2-[methyl(pentyl)amino]pyridine-3-carboximidamide (PubChem CID 76916150) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-2-[methyl(pentyl)amino]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-2-[methyl(pentyl)amino]pyridine-3-carboximidamide
PubChem CID76916150
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN'-hydroxy-6-methyl-2-[methyl(pentyl)amino]pyridine-3-carboximidamide
SMILESCCCCCN(C)c1nc(C)ccc1C(N)=NO
InChIInChI=1S/C13H22N4O/c1-4-5-6-9-17(3)13-11(12(14)16-18)8-7-10(2)15-13/h7-8,18H,4-6,9H2,1-3H3,(H2,14,16)
InChIKeyCVPSXHCVLVJIHE-UHFFFAOYSA-N
XLogP2.11
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.11
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-6-methyl-2-[methyl(pentyl)amino]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-2-[methyl(pentyl)amino]pyridine-3-carboximidamide (CID 76916150) is N'-hydroxy-6-methyl-2-[methyl(pentyl)amino]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-2-[methyl(pentyl)amino]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-2-[methyl(pentyl)amino]pyridine-3-carboximidamide is CCCCCN(C)c1nc(C)ccc1C(N)=NO.
What is the InChIKey of N'-hydroxy-6-methyl-2-[methyl(pentyl)amino]pyridine-3-carboximidamide?
The InChIKey is CVPSXHCVLVJIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-5-6-9-17(3)13-11(12(14)16-18)8-7-10(2)15-13/h7-8,18H,4-6,9H2,1-3H3,(H2,14,16).
What are the key properties of N'-hydroxy-6-methyl-2-[methyl(pentyl)amino]pyridine-3-carboximidamide?
N'-hydroxy-6-methyl-2-[methyl(pentyl)amino]pyridine-3-carboximidamide has a molecular weight of 250.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-methyl-2-[methyl(pentyl)amino]pyridine-3-carboximidamide is sourced from PubChem (CID 76916150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).