N'-hydroxy-1-[2-(1-methylpiperidin-2-yl)ethyl]-2-oxopyridine-3-carboximidamide

C14H22N4O2 — CID 107913580

IUPACN'-hydroxy-1-[2-(1-methylpiperidin-2-yl)ethyl]-2-oxopyridine-3-carboximidamide
SMILESCN1CCCCC1CCn1cccc(/C(N)=N/O)c1=O
InChIInChI=1S/C14H22N4O2/c1-17-8-3-2-5-11(17)7-10-18-9-4-6-12(14(18)19)13(15)16-20/h4,6,9,11,20H,2-3,5,7-8,10H2,1H3,(H2,15,16)
InChIKeyAWTKTAQMMPIEHA-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.82
Rot. Bonds4

About N'-hydroxy-1-[2-(1-methylpiperidin-2-yl)ethyl]-2-oxopyridine-3-carboximidamide

N'-hydroxy-1-[2-(1-methylpiperidin-2-yl)ethyl]-2-oxopyridine-3-carboximidamide (PubChem CID 107913580) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N'-hydroxy-1-[2-(1-methylpiperidin-2-yl)ethyl]-2-oxopyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[2-(1-methylpiperidin-2-yl)ethyl]-2-oxopyridine-3-carboximidamide
PubChem CID107913580
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN'-hydroxy-1-[2-(1-methylpiperidin-2-yl)ethyl]-2-oxopyridine-3-carboximidamide
SMILESCN1CCCCC1CCn1cccc(/C(N)=N/O)c1=O
InChIInChI=1S/C14H22N4O2/c1-17-8-3-2-5-11(17)7-10-18-9-4-6-12(14(18)19)13(15)16-20/h4,6,9,11,20H,2-3,5,7-8,10H2,1H3,(H2,15,16)
InChIKeyAWTKTAQMMPIEHA-UHFFFAOYSA-N
XLogP0.82
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.82
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

N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methyl]ethanamine
CID 114015196
N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methanamine
CID 107913072
N'-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide
CID 107017955
N'-hydroxy-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboximidamide
CID 107017996
N'-hydroxy-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxopyridine-3-carboximidamide
CID 107018140
N'-hydroxy-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboximidamide
CID 107018124
N'-hydroxy-2-oxo-1-[(2,4,6-trimethylphenyl)methyl]pyridine-3-carboximidamide
CID 107017990
1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid
CID 67255296
1-(cyclohexylmethyl)-N'-hydroxypyrrole-2-carboximidamide
CID 114654865
3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide
CID 136739755
N'-hydroxy-2-oxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridine-3-carboximidamide
CID 107017971
1-(2-ethylhexyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107017959

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[2-(1-methylpiperidin-2-yl)ethyl]-2-oxopyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-[2-(1-methylpiperidin-2-yl)ethyl]-2-oxopyridine-3-carboximidamide (CID 107913580) is N'-hydroxy-1-[2-(1-methylpiperidin-2-yl)ethyl]-2-oxopyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[2-(1-methylpiperidin-2-yl)ethyl]-2-oxopyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[2-(1-methylpiperidin-2-yl)ethyl]-2-oxopyridine-3-carboximidamide is CN1CCCCC1CCn1cccc(/C(N)=N/O)c1=O.
What is the InChIKey of N'-hydroxy-1-[2-(1-methylpiperidin-2-yl)ethyl]-2-oxopyridine-3-carboximidamide?
The InChIKey is AWTKTAQMMPIEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-17-8-3-2-5-11(17)7-10-18-9-4-6-12(14(18)19)13(15)16-20/h4,6,9,11,20H,2-3,5,7-8,10H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-1-[2-(1-methylpiperidin-2-yl)ethyl]-2-oxopyridine-3-carboximidamide?
N'-hydroxy-1-[2-(1-methylpiperidin-2-yl)ethyl]-2-oxopyridine-3-carboximidamide has a molecular weight of 278.36 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[2-(1-methylpiperidin-2-yl)ethyl]-2-oxopyridine-3-carboximidamide is sourced from PubChem (CID 107913580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).