3-chloro-N'-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide

C11H15ClN4O3 — CID 136739559

IUPAC3-chloro-N'-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(N2CCOCC2CO)c1Cl
InChIInChI=1S/C11H15ClN4O3/c12-9-8(10(13)15-18)1-2-14-11(9)16-3-4-19-6-7(16)5-17/h1-2,7,17-18H,3-6H2,(H2,13,15)
InChIKeyNMAYVRUOOPNJEG-UHFFFAOYSA-N
MW286.72 g/mol
LogP0.03
Rot. Bonds3

About 3-chloro-N'-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide

3-chloro-N'-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide (PubChem CID 136739559) has the molecular formula C11H15ClN4O3 and a molecular weight of 286.72 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide
PubChem CID136739559
Molecular FormulaC11H15ClN4O3
Molecular Weight286.72 g/mol
Exact Mass286.08
IUPAC Name3-chloro-N'-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(N2CCOCC2CO)c1Cl
InChIInChI=1S/C11H15ClN4O3/c12-9-8(10(13)15-18)1-2-14-11(9)16-3-4-19-6-7(16)5-17/h1-2,7,17-18H,3-6H2,(H2,13,15)
InChIKeyNMAYVRUOOPNJEG-UHFFFAOYSA-N
XLogP0.03
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 3-chloro-N'-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-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

3-chloro-N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carboximidamide
CID 137006825
N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide
CID 136952016
3-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxypyridine-4-carboximidamide
CID 136739447
2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-chloro-N'-hydroxypyridine-4-carboximidamide
CID 137006828
2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid
CID 83842677
3-chloro-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-4-carboximidamide
CID 136739315
3-chloro-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxypyridine-4-carboximidamide
CID 136739363
3-chloro-N'-hydroxy-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-4-carboximidamide
CID 136739516
N'-hydroxy-5-[3-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide
CID 104877402
[4-(2-chlorophenyl)morpholin-3-yl]methanol
CID 117009212
2-(3-ethylmorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916506
[4-[4-(hydroxymethyl)-3-pyridinyl]morpholin-3-yl]methanol
CID 105066985

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide (CID 136739559) is 3-chloro-N'-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide is N/C(=N/O)c1ccnc(N2CCOCC2CO)c1Cl.
What is the InChIKey of 3-chloro-N'-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide?
The InChIKey is NMAYVRUOOPNJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O3/c12-9-8(10(13)15-18)1-2-14-11(9)16-3-4-19-6-7(16)5-17/h1-2,7,17-18H,3-6H2,(H2,13,15).
What are the key properties of 3-chloro-N'-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide?
3-chloro-N'-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide has a molecular weight of 286.72 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide is sourced from PubChem (CID 136739559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).