3-chloro-N'-hydroxy-2-[methyl(oxolan-3-yl)amino]pyridine-4-carboximidamide

C11H15ClN4O2 — CID 137006835

IUPAC3-chloro-N'-hydroxy-2-[methyl(oxolan-3-yl)amino]pyridine-4-carboximidamide
SMILESCN(c1nccc(/C(N)=N/O)c1Cl)C1CCOC1
InChIInChI=1S/C11H15ClN4O2/c1-16(7-3-5-18-6-7)11-9(12)8(2-4-14-11)10(13)15-17/h2,4,7,17H,3,5-6H2,1H3,(H2,13,15)
InChIKeyLEFFPWBPKHMBCH-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.05
Rot. Bonds3

About 3-chloro-N'-hydroxy-2-[methyl(oxolan-3-yl)amino]pyridine-4-carboximidamide

3-chloro-N'-hydroxy-2-[methyl(oxolan-3-yl)amino]pyridine-4-carboximidamide (PubChem CID 137006835) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-2-[methyl(oxolan-3-yl)amino]pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-2-[methyl(oxolan-3-yl)amino]pyridine-4-carboximidamide
PubChem CID137006835
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name3-chloro-N'-hydroxy-2-[methyl(oxolan-3-yl)amino]pyridine-4-carboximidamide
SMILESCN(c1nccc(/C(N)=N/O)c1Cl)C1CCOC1
InChIInChI=1S/C11H15ClN4O2/c1-16(7-3-5-18-6-7)11-9(12)8(2-4-14-11)10(13)15-17/h2,4,7,17H,3,5-6H2,1H3,(H2,13,15)
InChIKeyLEFFPWBPKHMBCH-UHFFFAOYSA-N
XLogP1.05
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.05
H-Bond Donors ≤ 52
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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Related Compounds

3-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxypyridine-4-carboximidamide
CID 136739403
3-chloro-N'-hydroxy-2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739474
3-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739366
N'-hydroxy-6-[methyl(oxolan-3-yl)amino]pyridine-3-carboximidamide
CID 82739589
3-chloro-N'-hydroxy-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carboximidamide
CID 136739462
3-chloro-2-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739417
3-chloro-2-[cyclobutyl(methyl)amino]pyridine-4-carboximidamide
CID 107060380
3-chloro-2-(N,3-dimethylanilino)-N'-hydroxypyridine-4-carboximidamide
CID 136739430
3-chloro-2-(N-ethylanilino)-N'-hydroxypyridine-4-carboximidamide
CID 136739272
3-chloro-N'-hydroxy-2-(N,2,4-trimethylanilino)pyridine-4-carboximidamide
CID 136739427
2-chloro-4-[methyl(oxolan-3-yl)amino]benzenecarbothioamide
CID 82738078
2-[methyl(oxolan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 82738993

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-2-[methyl(oxolan-3-yl)amino]pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-2-[methyl(oxolan-3-yl)amino]pyridine-4-carboximidamide (CID 137006835) is 3-chloro-N'-hydroxy-2-[methyl(oxolan-3-yl)amino]pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-2-[methyl(oxolan-3-yl)amino]pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-2-[methyl(oxolan-3-yl)amino]pyridine-4-carboximidamide is CN(c1nccc(/C(N)=N/O)c1Cl)C1CCOC1.
What is the InChIKey of 3-chloro-N'-hydroxy-2-[methyl(oxolan-3-yl)amino]pyridine-4-carboximidamide?
The InChIKey is LEFFPWBPKHMBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-16(7-3-5-18-6-7)11-9(12)8(2-4-14-11)10(13)15-17/h2,4,7,17H,3,5-6H2,1H3,(H2,13,15).
What are the key properties of 3-chloro-N'-hydroxy-2-[methyl(oxolan-3-yl)amino]pyridine-4-carboximidamide?
3-chloro-N'-hydroxy-2-[methyl(oxolan-3-yl)amino]pyridine-4-carboximidamide has a molecular weight of 270.72 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-2-[methyl(oxolan-3-yl)amino]pyridine-4-carboximidamide is sourced from PubChem (CID 137006835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).