2-[butyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide

C12H20N4O2 — CID 61446274

IUPAC2-[butyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide
SMILESCCCCN(CCO)c1ncccc1C(N)=NO
InChIInChI=1S/C12H20N4O2/c1-2-3-7-16(8-9-17)12-10(11(13)15-18)5-4-6-14-12/h4-6,17-18H,2-3,7-9H2,1H3,(H2,13,15)
InChIKeyGORTUKDIVIDDCR-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.77
Rot. Bonds7

About 2-[butyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide

2-[butyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide (PubChem CID 61446274) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide
PubChem CID61446274
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[butyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide
SMILESCCCCN(CCO)c1ncccc1C(N)=NO
InChIInChI=1S/C12H20N4O2/c1-2-3-7-16(8-9-17)12-10(11(13)15-18)5-4-6-14-12/h4-6,17-18H,2-3,7-9H2,1H3,(H2,13,15)
InChIKeyGORTUKDIVIDDCR-UHFFFAOYSA-N
XLogP0.77
TPSA94.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
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

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 107480051
N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide
CID 104552120
2-[butyl-(3-propoxy-2-pyridinyl)amino]ethanol
CID 113371170
2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 61446175
2-[(5-bromoisoquinolin-1-yl)-butylamino]ethanol
CID 106541425
N,N-dibutyl-3-chloropyridin-2-amine
CID 135025261
2-[(3-fluoro-2-pyridinyl)-propylamino]ethanol
CID 62734185
6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470370
2-[(2-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
CID 61416620
(1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol
CID 114055796
2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyquinoline-3-carboximidamide
CID 77034218
2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906348

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide (CID 61446274) is 2-[butyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 2-[butyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 2-[butyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide is CCCCN(CCO)c1ncccc1C(N)=NO.
What is the InChIKey of 2-[butyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is GORTUKDIVIDDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-3-7-16(8-9-17)12-10(11(13)15-18)5-4-6-14-12/h4-6,17-18H,2-3,7-9H2,1H3,(H2,13,15).
What are the key properties of 2-[butyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide?
2-[butyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 252.32 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 61446274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).