3-chloro-N'-hydroxy-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carboximidamide

C14H22ClN5O — CID 136739462

IUPAC3-chloro-N'-hydroxy-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carboximidamide
SMILESCN1CCC(CN(C)c2nccc(/C(N)=N/O)c2Cl)CC1
InChIInChI=1S/C14H22ClN5O/c1-19-7-4-10(5-8-19)9-20(2)14-12(15)11(3-6-17-14)13(16)18-21/h3,6,10,21H,4-5,7-9H2,1-2H3,(H2,16,18)
InChIKeyMNIXJFIIASIEPL-UHFFFAOYSA-N
MW311.82 g/mol
LogP1.61
Rot. Bonds4

About 3-chloro-N'-hydroxy-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carboximidamide

3-chloro-N'-hydroxy-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carboximidamide (PubChem CID 136739462) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carboximidamide
PubChem CID136739462
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name3-chloro-N'-hydroxy-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carboximidamide
SMILESCN1CCC(CN(C)c2nccc(/C(N)=N/O)c2Cl)CC1
InChIInChI=1S/C14H22ClN5O/c1-19-7-4-10(5-8-19)9-20(2)14-12(15)11(3-6-17-14)13(16)18-21/h3,6,10,21H,4-5,7-9H2,1-2H3,(H2,16,18)
InChIKeyMNIXJFIIASIEPL-UHFFFAOYSA-N
XLogP1.61
TPSA77.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 51.61
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-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739366
3-chloro-N'-hydroxy-2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739474
3-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxypyridine-4-carboximidamide
CID 136739403
3-chloro-2-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739417
3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-amine
CID 63235390
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazine-2-carbothioamide
CID 63234371
2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 78971246
3-chloro-N'-hydroxy-2-[methyl(pyridin-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739305
3-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxypyridine-4-carboximidamide
CID 136739447
3-chloro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 107057707
3-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxypyridine-4-carboximidamide
CID 136739336
3-chloro-N'-hydroxy-2-[methyl(oxolan-3-yl)amino]pyridine-4-carboximidamide
CID 137006835

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carboximidamide (CID 136739462) is 3-chloro-N'-hydroxy-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carboximidamide is CN1CCC(CN(C)c2nccc(/C(N)=N/O)c2Cl)CC1.
What is the InChIKey of 3-chloro-N'-hydroxy-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carboximidamide?
The InChIKey is MNIXJFIIASIEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5O/c1-19-7-4-10(5-8-19)9-20(2)14-12(15)11(3-6-17-14)13(16)18-21/h3,6,10,21H,4-5,7-9H2,1-2H3,(H2,16,18).
What are the key properties of 3-chloro-N'-hydroxy-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carboximidamide?
3-chloro-N'-hydroxy-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carboximidamide has a molecular weight of 311.82 g/mol, XLogP of 1.61, 4 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-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carboximidamide is sourced from PubChem (CID 136739462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).