N'-hydroxy-4-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide

C13H20N4O2 — CID 136762079

IUPACN'-hydroxy-4-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide
SMILESCC(O)C1CCN(c2ccnc(/C(N)=N/O)c2)CC1
InChIInChI=1S/C13H20N4O2/c1-9(18)10-3-6-17(7-4-10)11-2-5-15-12(8-11)13(14)16-19/h2,5,8-10,18-19H,3-4,6-7H2,1H3,(H2,14,16)
InChIKeySRSKWYJUXZTDJC-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.77
Rot. Bonds3

About N'-hydroxy-4-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide

N'-hydroxy-4-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide (PubChem CID 136762079) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N'-hydroxy-4-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide
PubChem CID136762079
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN'-hydroxy-4-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide
SMILESCC(O)C1CCN(c2ccnc(/C(N)=N/O)c2)CC1
InChIInChI=1S/C13H20N4O2/c1-9(18)10-3-6-17(7-4-10)11-2-5-15-12(8-11)13(14)16-19/h2,5,8-10,18-19H,3-4,6-7H2,1H3,(H2,14,16)
InChIKeySRSKWYJUXZTDJC-UHFFFAOYSA-N
XLogP0.77
TPSA94.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.77
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

N'-hydroxy-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyrimidine-4-carboximidamide
CID 136906998
N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)pyridine-2-carboximidamide
CID 136967839
4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136980807
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 112625915
2-bromo-N'-hydroxy-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 107278802
2-chloro-N'-hydroxy-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 112625693
2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide
CID 139934483
N'-hydroxy-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide
CID 115965345
4-(2,3-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136929458
1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid
CID 43517519
N'-hydroxy-2-methyl-4-(4-propan-2-ylazepan-1-yl)benzenecarboximidamide
CID 81273838
5-(4-ethylazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136990674

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide (CID 136762079) is N'-hydroxy-4-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide is CC(O)C1CCN(c2ccnc(/C(N)=N/O)c2)CC1.
What is the InChIKey of N'-hydroxy-4-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide?
The InChIKey is SRSKWYJUXZTDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(18)10-3-6-17(7-4-10)11-2-5-15-12(8-11)13(14)16-19/h2,5,8-10,18-19H,3-4,6-7H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-4-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide?
N'-hydroxy-4-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide has a molecular weight of 264.33 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide is sourced from PubChem (CID 136762079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).