2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide

C15H24N4O2 — CID 76904065

IUPAC2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCCN(CC1CCCO1)c1nc(C)cc(C)c1C(N)=NO
InChIInChI=1S/C15H24N4O2/c1-4-19(9-12-6-5-7-21-12)15-13(14(16)18-20)10(2)8-11(3)17-15/h8,12,20H,4-7,9H2,1-3H3,(H2,16,18)
InChIKeyYGTDIQFIWISFNS-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.80
Rot. Bonds5

About 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide

2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 76904065) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
PubChem CID76904065
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCCN(CC1CCCO1)c1nc(C)cc(C)c1C(N)=NO
InChIInChI=1S/C15H24N4O2/c1-4-19(9-12-6-5-7-21-12)15-13(14(16)18-20)10(2)8-11(3)17-15/h8,12,20H,4-7,9H2,1-3H3,(H2,16,18)
InChIKeyYGTDIQFIWISFNS-UHFFFAOYSA-N
XLogP1.80
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.80
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

2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906523
2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 77022734
2-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 102993623
2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 76950939
2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61175807
2-bromo-4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107278620
4-[ethyl(oxolan-2-ylmethyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052982
N'-hydroxy-4,6-dimethyl-2-[methyl(pentan-3-yl)amino]pyridine-3-carboximidamide
CID 61176932
4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80800047
2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 76911921
2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 79075350
3-(aminomethyl)-N,4,6-trimethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61430774

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide (CID 76904065) is 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide is CCN(CC1CCCO1)c1nc(C)cc(C)c1C(N)=NO.
What is the InChIKey of 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is YGTDIQFIWISFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-19(9-12-6-5-7-21-12)15-13(14(16)18-20)10(2)8-11(3)17-15/h8,12,20H,4-7,9H2,1-3H3,(H2,16,18).
What are the key properties of 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 292.38 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 76904065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).