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

C10H16N4O2 — CID 104552120

IUPACN'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide
SMILESCC(CO)N(C)c1ncccc1/C(N)=N/O
InChIInChI=1S/C10H16N4O2/c1-7(6-15)14(2)10-8(9(11)13-16)4-3-5-12-10/h3-5,7,15-16H,6H2,1-2H3,(H2,11,13)
InChIKeyWPYWGVLZABIYBI-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.01
Rot. Bonds4

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

N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide (PubChem CID 104552120) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide
PubChem CID104552120
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide
SMILESCC(CO)N(C)c1ncccc1/C(N)=N/O
InChIInChI=1S/C10H16N4O2/c1-7(6-15)14(2)10-8(9(11)13-16)4-3-5-12-10/h3-5,7,15-16H,6H2,1-2H3,(H2,11,13)
InChIKeyWPYWGVLZABIYBI-UHFFFAOYSA-N
XLogP-0.01
TPSA94.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.01
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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Related Compounds

2-((Pyridin-2-yl)amino)ethan-1-ol
CID 420844
nAChR antagonist AP-211
CID 137638073
2-(2-Hydroxyethylamino)-pyridine hydrochloride
CID 2827516
2-((5-(Trifluoromethyl)pyridin-2-yl)amino)ethan-1-ol
CID 2986104
1-(5-Methyl-2-pyridinyl)-2-propylguanidine;hydrochloride
CID 56837267
N'-hydroxy-2-(piperidin-1-yl)pyridine-3-carboximidamide
CID 12254379
(2S)-2-((3-fluoropyridin-2-yl)(methyl)amino)propan-1-ol
CID 126787150
3-((Pyridin-2-yl)amino)propan-1-ol
CID 11412479
(2-(Morpholin-4-yl)pyridin-3-yl)methanamine
CID 16790303
2-[(2-Hydroxyethyl)amino]pyridine-3-carbonitrile
CID 17860931
6-(Dimethylamino)-N-methyl-3-pyridinemethanamine
CID 54595827
2-(N-Methyl-N-(2-pyridyl)amino)ethanol
CID 737420

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide (CID 104552120) is N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide is CC(CO)N(C)c1ncccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide?
The InChIKey is WPYWGVLZABIYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7(6-15)14(2)10-8(9(11)13-16)4-3-5-12-10/h3-5,7,15-16H,6H2,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide?
N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide has a molecular weight of 224.26 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide is sourced from PubChem (CID 104552120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).