N'-hydroxy-4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboximidamide

C12H18N4O3 — CID 79680423

IUPACN'-hydroxy-4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboximidamide
SMILESCOc1cccc(CN2CCOC(C(N)=NO)C2)n1
InChIInChI=1S/C12H18N4O3/c1-18-11-4-2-3-9(14-11)7-16-5-6-19-10(8-16)12(13)15-17/h2-4,10,17H,5-8H2,1H3,(H2,13,15)
InChIKeyJTVZIFVHIYVWRM-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.04
Rot. Bonds4

About N'-hydroxy-4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboximidamide

N'-hydroxy-4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboximidamide (PubChem CID 79680423) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N'-hydroxy-4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboximidamide
PubChem CID79680423
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN'-hydroxy-4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboximidamide
SMILESCOc1cccc(CN2CCOC(C(N)=NO)C2)n1
InChIInChI=1S/C12H18N4O3/c1-18-11-4-2-3-9(14-11)7-16-5-6-19-10(8-16)12(13)15-17/h2-4,10,17H,5-8H2,1H3,(H2,13,15)
InChIKeyJTVZIFVHIYVWRM-UHFFFAOYSA-N
XLogP0.04
TPSA93.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboxylic acid
CID 63985912
(2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide
CID 51530238
1-[(6-methoxy-2-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103897931
N'-hydroxy-4-[2-(4-methoxyphenoxy)ethyl]morpholine-2-carboximidamide
CID 79670529
(3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine
CID 104975727
4-[(3-bromo-4-methoxyphenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide
CID 79680600
methyl 4-[[4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carbonyl]amino]adamantane-1-carboxylate
CID 66555914
2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-6-methoxypyridine
CID 114682535
2-methoxy-6-(piperidin-1-ylmethyl)pyridine
CID 70652671
2-[(3-chloropiperidin-1-yl)methyl]-6-methoxypyridine
CID 63984943
N'-hydroxy-4-(quinolin-4-ylmethyl)morpholine-2-carboximidamide
CID 79670534
N'-hydroxy-4-(quinolin-6-ylmethyl)morpholine-2-carboximidamide
CID 79670544

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboximidamide (CID 79680423) is N'-hydroxy-4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboximidamide is COc1cccc(CN2CCOC(C(N)=NO)C2)n1.
What is the InChIKey of N'-hydroxy-4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboximidamide?
The InChIKey is JTVZIFVHIYVWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-18-11-4-2-3-9(14-11)7-16-5-6-19-10(8-16)12(13)15-17/h2-4,10,17H,5-8H2,1H3,(H2,13,15).
What are the key properties of N'-hydroxy-4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboximidamide?
N'-hydroxy-4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboximidamide has a molecular weight of 266.30 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboximidamide is sourced from PubChem (CID 79680423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).