6-[ethyl(propan-2-yl)amino]-N'-hydroxypyridine-3-carboximidamide

C11H18N4O — CID 43265833

IUPAC6-[ethyl(propan-2-yl)amino]-N'-hydroxypyridine-3-carboximidamide
SMILESCCN(c1ccc(/C(N)=N/O)cn1)C(C)C
InChIInChI=1S/C11H18N4O/c1-4-15(8(2)3)10-6-5-9(7-13-10)11(12)14-16/h5-8,16H,4H2,1-3H3,(H2,12,14)
InChIKeyKYCCBUCRHORUAZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.41
Rot. Bonds4

About 6-[ethyl(propan-2-yl)amino]-N'-hydroxypyridine-3-carboximidamide

6-[ethyl(propan-2-yl)amino]-N'-hydroxypyridine-3-carboximidamide (PubChem CID 43265833) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-[ethyl(propan-2-yl)amino]-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[ethyl(propan-2-yl)amino]-N'-hydroxypyridine-3-carboximidamide
PubChem CID43265833
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name6-[ethyl(propan-2-yl)amino]-N'-hydroxypyridine-3-carboximidamide
SMILESCCN(c1ccc(/C(N)=N/O)cn1)C(C)C
InChIInChI=1S/C11H18N4O/c1-4-15(8(2)3)10-6-5-9(7-13-10)11(12)14-16/h5-8,16H,4H2,1-3H3,(H2,12,14)
InChIKeyKYCCBUCRHORUAZ-UHFFFAOYSA-N
XLogP1.41
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 82951012
6-[ethyl(propyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43268817
6-[cyclopropylmethyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 76996434
2-N-ethyl-2-N-propan-2-ylpyridine-2,5-diamine
CID 43265505
6-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxypyridine-3-carboximidamide
CID 102993616
6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43265005
6-[1-(4-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
CID 76979765
6-[cyclopropylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 60984897
3-[(5-carbamoyl-2-pyridinyl)-ethylamino]butanoic acid
CID 62826549
5-[(Z)-N'-hydroxycarbamimidoyl]-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 55228873
6-[ethyl(propan-2-yl)amino]-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120831653
6-(N,4-dimethylanilino)-N'-hydroxypyridine-3-carboximidamide
CID 76930776

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(propan-2-yl)amino]-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-[ethyl(propan-2-yl)amino]-N'-hydroxypyridine-3-carboximidamide (CID 43265833) is 6-[ethyl(propan-2-yl)amino]-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-[ethyl(propan-2-yl)amino]-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-[ethyl(propan-2-yl)amino]-N'-hydroxypyridine-3-carboximidamide is CCN(c1ccc(/C(N)=N/O)cn1)C(C)C.
What is the InChIKey of 6-[ethyl(propan-2-yl)amino]-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is KYCCBUCRHORUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-4-15(8(2)3)10-6-5-9(7-13-10)11(12)14-16/h5-8,16H,4H2,1-3H3,(H2,12,14).
What are the key properties of 6-[ethyl(propan-2-yl)amino]-N'-hydroxypyridine-3-carboximidamide?
6-[ethyl(propan-2-yl)amino]-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 222.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(propan-2-yl)amino]-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 43265833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).