N'-hydroxy-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide

C14H22N4O2 — CID 102781359

IUPACN'-hydroxy-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(N2CCC(C)C2CO)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C14H22N4O2/c1-8-4-5-18(12(8)7-19)11-6-9(2)16-10(3)13(11)14(15)17-20/h6,8,12,19-20H,4-5,7H2,1-3H3,(H2,15,17)
InChIKeyJOVZVBYCJMBXFM-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.00
Rot. Bonds3

About N'-hydroxy-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide

N'-hydroxy-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 102781359) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N'-hydroxy-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide
PubChem CID102781359
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN'-hydroxy-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(N2CCC(C)C2CO)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C14H22N4O2/c1-8-4-5-18(12(8)7-19)11-6-9(2)16-10(3)13(11)14(15)17-20/h6,8,12,19-20H,4-5,7H2,1-3H3,(H2,15,17)
InChIKeyJOVZVBYCJMBXFM-UHFFFAOYSA-N
XLogP1.00
TPSA94.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide (CID 102781359) is N'-hydroxy-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide is Cc1cc(N2CCC(C)C2CO)c(/C(N)=N/O)c(C)n1.
What is the InChIKey of N'-hydroxy-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is JOVZVBYCJMBXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-8-4-5-18(12(8)7-19)11-6-9(2)16-10(3)13(11)14(15)17-20/h6,8,12,19-20H,4-5,7H2,1-3H3,(H2,15,17).
What are the key properties of N'-hydroxy-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide?
N'-hydroxy-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 278.36 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 102781359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).