N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pyridine-2-carboximidamide

C11H18N4O2 — CID 136990539

IUPACN'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pyridine-2-carboximidamide
SMILESCCCN(CCO)c1ccc(/C(N)=N/O)nc1
InChIInChI=1S/C11H18N4O2/c1-2-5-15(6-7-16)9-3-4-10(13-8-9)11(12)14-17/h3-4,8,16-17H,2,5-7H2,1H3,(H2,12,14)
InChIKeyTXJQCRAVOCNKCA-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.38
Rot. Bonds6

About N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pyridine-2-carboximidamide

N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pyridine-2-carboximidamide (PubChem CID 136990539) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pyridine-2-carboximidamide
PubChem CID136990539
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pyridine-2-carboximidamide
SMILESCCCN(CCO)c1ccc(/C(N)=N/O)nc1
InChIInChI=1S/C11H18N4O2/c1-2-5-15(6-7-16)9-3-4-10(13-8-9)11(12)14-17/h3-4,8,16-17H,2,5-7H2,1H3,(H2,12,14)
InChIKeyTXJQCRAVOCNKCA-UHFFFAOYSA-N
XLogP0.38
TPSA94.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.38
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

5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136990515
4-(dipropylamino)-N'-hydroxypyridine-2-carboximidamide
CID 135965085
5-[butan-2-yl(butyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136990581
5-(N-ethyl-4-methylanilino)-N'-hydroxypyridine-2-carboximidamide
CID 136990608
1-[5-(dipropylamino)-2-pyridinyl]propan-1-one
CID 112583475
1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585320
5-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136865121
2-[(6-amino-3-pyridinyl)-butylamino]ethanol
CID 61444320
N'-hydroxy-5-[3-methoxypropyl(methyl)amino]pyridine-2-carboximidamide
CID 136990637
4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 60981592
N'-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide
CID 136920625
N'-hydroxy-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboximidamide
CID 135965054

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pyridine-2-carboximidamide (CID 136990539) is N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pyridine-2-carboximidamide is CCCN(CCO)c1ccc(/C(N)=N/O)nc1.
What is the InChIKey of N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pyridine-2-carboximidamide?
The InChIKey is TXJQCRAVOCNKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-5-15(6-7-16)9-3-4-10(13-8-9)11(12)14-17/h3-4,8,16-17H,2,5-7H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pyridine-2-carboximidamide?
N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pyridine-2-carboximidamide has a molecular weight of 238.29 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pyridine-2-carboximidamide is sourced from PubChem (CID 136990539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).