N'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide

C12H20N4O2 — CID 82951012

IUPACN'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide
SMILESCOCCN(c1ccc(/C(N)=N/O)cn1)C(C)C
InChIInChI=1S/C12H20N4O2/c1-9(2)16(6-7-18-3)11-5-4-10(8-14-11)12(13)15-17/h4-5,8-9,17H,6-7H2,1-3H3,(H2,13,15)
InChIKeyOGJVVWWECPIJQV-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.04
Rot. Bonds6

About N'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide

N'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide (PubChem CID 82951012) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide
PubChem CID82951012
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide
SMILESCOCCN(c1ccc(/C(N)=N/O)cn1)C(C)C
InChIInChI=1S/C12H20N4O2/c1-9(2)16(6-7-18-3)11-5-4-10(8-14-11)12(13)15-17/h4-5,8-9,17H,6-7H2,1-3H3,(H2,13,15)
InChIKeyOGJVVWWECPIJQV-UHFFFAOYSA-N
XLogP1.04
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.04
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

6-[ethyl(propan-2-yl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43265833
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 82960384
N'-hydroxy-4-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]benzenecarboximidamide
CID 82939708
5-(N'-hydroxycarbamimidoyl)-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide
CID 76951862
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4-methylpyridine-3-carboximidamide
CID 82951393
6-[ethyl(propyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43268817
(E)-3-[6-[2-methoxyethyl(propan-2-yl)amino]-3-pyridinyl]prop-2-enoic acid
CID 82959726
N'-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboximidamide
CID 104562144
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide
CID 107929997
2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013495
6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43265005
4-[butan-2-yl(2-methoxyethyl)amino]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 76984278

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide (CID 82951012) is N'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide is COCCN(c1ccc(/C(N)=N/O)cn1)C(C)C.
What is the InChIKey of N'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide?
The InChIKey is OGJVVWWECPIJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(2)16(6-7-18-3)11-5-4-10(8-14-11)12(13)15-17/h4-5,8-9,17H,6-7H2,1-3H3,(H2,13,15).
What are the key properties of N'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide?
N'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide has a molecular weight of 252.32 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide is sourced from PubChem (CID 82951012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).