6-(2-ethylmorpholine-4-carbonyl)-N'-hydroxypyridine-3-carboximidamide

C13H18N4O3 — CID 76951823

IUPAC6-(2-ethylmorpholine-4-carbonyl)-N'-hydroxypyridine-3-carboximidamide
SMILESCCC1CN(C(=O)c2ccc(C(N)=NO)cn2)CCO1
InChIInChI=1S/C13H18N4O3/c1-2-10-8-17(5-6-20-10)13(18)11-4-3-9(7-15-11)12(14)16-19/h3-4,7,10,19H,2,5-6,8H2,1H3,(H2,14,16)
InChIKeyRRHMFYSWTPRTEH-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.43
Rot. Bonds3

About 6-(2-ethylmorpholine-4-carbonyl)-N'-hydroxypyridine-3-carboximidamide

6-(2-ethylmorpholine-4-carbonyl)-N'-hydroxypyridine-3-carboximidamide (PubChem CID 76951823) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-(2-ethylmorpholine-4-carbonyl)-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(2-ethylmorpholine-4-carbonyl)-N'-hydroxypyridine-3-carboximidamide
PubChem CID76951823
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name6-(2-ethylmorpholine-4-carbonyl)-N'-hydroxypyridine-3-carboximidamide
SMILESCCC1CN(C(=O)c2ccc(C(N)=NO)cn2)CCO1
InChIInChI=1S/C13H18N4O3/c1-2-10-8-17(5-6-20-10)13(18)11-4-3-9(7-15-11)12(14)16-19/h3-4,7,10,19H,2,5-6,8H2,1H3,(H2,14,16)
InChIKeyRRHMFYSWTPRTEH-UHFFFAOYSA-N
XLogP0.43
TPSA101.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.43
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

(5-amino-2-pyridinyl)-(2-ethylmorpholin-4-yl)methanone
CID 81317078
6-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxypyridine-3-carboximidamide
CID 77005377
(2-ethylmorpholin-4-yl)-(6-hydrazinylpyridazin-3-yl)methanone
CID 62243410
(6-chloropyridazin-3-yl)-(2-ethylmorpholin-4-yl)methanone
CID 60857887
[6-(ethylamino)pyridazin-3-yl]-(2-ethylmorpholin-4-yl)methanone
CID 62168371
(2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone
CID 107023047
6-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxypyridine-3-carboximidamide
CID 81465067
[2-(hydroxymethyl)morpholin-4-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 113436230
(4-amino-2-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone
CID 114218720
(2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone
CID 43070670
2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 124515416
5-(N'-hydroxycarbamimidoyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 77005035

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylmorpholine-4-carbonyl)-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-(2-ethylmorpholine-4-carbonyl)-N'-hydroxypyridine-3-carboximidamide (CID 76951823) is 6-(2-ethylmorpholine-4-carbonyl)-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-(2-ethylmorpholine-4-carbonyl)-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-(2-ethylmorpholine-4-carbonyl)-N'-hydroxypyridine-3-carboximidamide is CCC1CN(C(=O)c2ccc(C(N)=NO)cn2)CCO1.
What is the InChIKey of 6-(2-ethylmorpholine-4-carbonyl)-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is RRHMFYSWTPRTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-2-10-8-17(5-6-20-10)13(18)11-4-3-9(7-15-11)12(14)16-19/h3-4,7,10,19H,2,5-6,8H2,1H3,(H2,14,16).
What are the key properties of 6-(2-ethylmorpholine-4-carbonyl)-N'-hydroxypyridine-3-carboximidamide?
6-(2-ethylmorpholine-4-carbonyl)-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 278.31 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylmorpholine-4-carbonyl)-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 76951823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).