N'-hydroxy-6-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyridine-3-carboximidamide

C13H18N4O3 — CID 102784290

IUPACN'-hydroxy-6-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyridine-3-carboximidamide
SMILESCC1CCN(C(=O)c2ccc(/C(N)=N/O)cn2)C1CO
InChIInChI=1S/C13H18N4O3/c1-8-4-5-17(11(8)7-18)13(19)10-3-2-9(6-15-10)12(14)16-20/h2-3,6,8,11,18,20H,4-5,7H2,1H3,(H2,14,16)
InChIKeyMXJHQYLGZXAJFS-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.02
Rot. Bonds3

About N'-hydroxy-6-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyridine-3-carboximidamide

N'-hydroxy-6-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyridine-3-carboximidamide (PubChem CID 102784290) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N'-hydroxy-6-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyridine-3-carboximidamide
PubChem CID102784290
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN'-hydroxy-6-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyridine-3-carboximidamide
SMILESCC1CCN(C(=O)c2ccc(/C(N)=N/O)cn2)C1CO
InChIInChI=1S/C13H18N4O3/c1-8-4-5-17(11(8)7-18)13(19)10-3-2-9(6-15-10)12(14)16-20/h2-3,6,8,11,18,20H,4-5,7H2,1H3,(H2,14,16)
InChIKeyMXJHQYLGZXAJFS-UHFFFAOYSA-N
XLogP0.02
TPSA112.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.02
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'}

Analyze N'-hydroxy-6-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyridine-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

Related Compounds

N'-hydroxy-6-(2-methylpyrrolidine-1-carbonyl)pyridine-3-carboximidamide
CID 77005324
6-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxypyridine-3-carboximidamide
CID 77005377
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 102737857
5-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]pyridine-2-carboxamide
CID 124592813
(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102789360
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102738443
6-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxypyridine-3-carboximidamide
CID 81465067
furan-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738155
5-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)pyridine-2-carboxamide
CID 77005250
N-(cyclopentylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005094
6-[2-(bromomethyl)-3-methylpyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 102788235
6-(2-ethylmorpholine-4-carbonyl)-N'-hydroxypyridine-3-carboximidamide
CID 76951823

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyridine-3-carboximidamide (CID 102784290) is N'-hydroxy-6-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyridine-3-carboximidamide is CC1CCN(C(=O)c2ccc(/C(N)=N/O)cn2)C1CO.
What is the InChIKey of N'-hydroxy-6-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyridine-3-carboximidamide?
The InChIKey is MXJHQYLGZXAJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-8-4-5-17(11(8)7-18)13(19)10-3-2-9(6-15-10)12(14)16-20/h2-3,6,8,11,18,20H,4-5,7H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-6-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyridine-3-carboximidamide?
N'-hydroxy-6-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyridine-3-carboximidamide has a molecular weight of 278.31 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyridine-3-carboximidamide is sourced from PubChem (CID 102784290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).