N'-hydroxy-2,6-dimethyl-4-(2-propylpiperidin-1-yl)pyridine-3-carboximidamide

C16H26N4O — CID 83046252

IUPACN'-hydroxy-2,6-dimethyl-4-(2-propylpiperidin-1-yl)pyridine-3-carboximidamide
SMILESCCCC1CCCCN1c1cc(C)nc(C)c1/C(N)=N/O
InChIInChI=1S/C16H26N4O/c1-4-7-13-8-5-6-9-20(13)14-10-11(2)18-12(3)15(14)16(17)19-21/h10,13,21H,4-9H2,1-3H3,(H2,17,19)
InChIKeyIHEFZBFUZMBQSG-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.95
Rot. Bonds4

About N'-hydroxy-2,6-dimethyl-4-(2-propylpiperidin-1-yl)pyridine-3-carboximidamide

N'-hydroxy-2,6-dimethyl-4-(2-propylpiperidin-1-yl)pyridine-3-carboximidamide (PubChem CID 83046252) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N'-hydroxy-2,6-dimethyl-4-(2-propylpiperidin-1-yl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2,6-dimethyl-4-(2-propylpiperidin-1-yl)pyridine-3-carboximidamide
PubChem CID83046252
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN'-hydroxy-2,6-dimethyl-4-(2-propylpiperidin-1-yl)pyridine-3-carboximidamide
SMILESCCCC1CCCCN1c1cc(C)nc(C)c1/C(N)=N/O
InChIInChI=1S/C16H26N4O/c1-4-7-13-8-5-6-9-20(13)14-10-11(2)18-12(3)15(14)16(17)19-21/h10,13,21H,4-9H2,1-3H3,(H2,17,19)
InChIKeyIHEFZBFUZMBQSG-UHFFFAOYSA-N
XLogP2.95
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.95
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

N'-hydroxy-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide
CID 102781359
4-[2-(aminomethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboxamide
CID 81051866
N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-4-carboximidamide
CID 136906366
2,6-dimethyl-4-[2-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 81052481
4-methyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83056730
4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 106669723
N'-hydroxy-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide
CID 115965345
2-[1-(3-carbamoyl-2,6-dimethyl-4-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 81050331
N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide
CID 106587056
4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81053897
N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide
CID 103533946
N-[[6-methyl-4-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 83061461

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,6-dimethyl-4-(2-propylpiperidin-1-yl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2,6-dimethyl-4-(2-propylpiperidin-1-yl)pyridine-3-carboximidamide (CID 83046252) is N'-hydroxy-2,6-dimethyl-4-(2-propylpiperidin-1-yl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2,6-dimethyl-4-(2-propylpiperidin-1-yl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2,6-dimethyl-4-(2-propylpiperidin-1-yl)pyridine-3-carboximidamide is CCCC1CCCCN1c1cc(C)nc(C)c1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2,6-dimethyl-4-(2-propylpiperidin-1-yl)pyridine-3-carboximidamide?
The InChIKey is IHEFZBFUZMBQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-7-13-8-5-6-9-20(13)14-10-11(2)18-12(3)15(14)16(17)19-21/h10,13,21H,4-9H2,1-3H3,(H2,17,19).
What are the key properties of N'-hydroxy-2,6-dimethyl-4-(2-propylpiperidin-1-yl)pyridine-3-carboximidamide?
N'-hydroxy-2,6-dimethyl-4-(2-propylpiperidin-1-yl)pyridine-3-carboximidamide has a molecular weight of 290.41 g/mol, XLogP of 2.95, 4 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-propylpiperidin-1-yl)pyridine-3-carboximidamide is sourced from PubChem (CID 83046252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).