N'-(2-methoxyethyl)pyridine-3-carboximidamide

C9H13N3O — CID 63181303

IUPACN'-(2-methoxyethyl)pyridine-3-carboximidamide
SMILESCOCC/N=C(\N)c1cccnc1
InChIInChI=1S/C9H13N3O/c1-13-6-5-12-9(10)8-3-2-4-11-7-8/h2-4,7H,5-6H2,1H3,(H2,10,12)
InChIKeyWIEGZBVUAXUZNX-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.43
Rot. Bonds4

About N'-(2-methoxyethyl)pyridine-3-carboximidamide

N'-(2-methoxyethyl)pyridine-3-carboximidamide (PubChem CID 63181303) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N'-(2-methoxyethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-(2-methoxyethyl)pyridine-3-carboximidamide
PubChem CID63181303
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN'-(2-methoxyethyl)pyridine-3-carboximidamide
SMILESCOCC/N=C(\N)c1cccnc1
InChIInChI=1S/C9H13N3O/c1-13-6-5-12-9(10)8-3-2-4-11-7-8/h2-4,7H,5-6H2,1H3,(H2,10,12)
InChIKeyWIEGZBVUAXUZNX-UHFFFAOYSA-N
XLogP0.43
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-methoxypyridine-3-carboximidamide
CID 82467799
N'-[2-(2-methoxyethoxy)ethyl]benzenecarboximidamide
CID 63176381
4-chloro-N'-(2-methoxyethyl)benzenecarboximidamide
CID 63181364
[amino-[[amino(pyridin-3-yl)methylidene]amino]methylidene]azanium
CID 147378238
2-amino-5-methoxy-1-pyridin-3-ylpentan-1-one
CID 116593749
methane;pyridine-3-carboxamide
CID 19390506
CID 175154223
CID 175154223
benzene;pyridine-3-carboxamide
CID 66766032
methyl N'-(2-methoxyethyl)-N-methyl-N-(pyridin-3-ylmethyl)carbamimidothioate
CID 54091558
N'-(2-methoxyethyl)quinoline-2-carboximidamide
CID 63222826
N'-[(4-nitrophenyl)methyl]pyridine-3-carboximidamide
CID 19734501
azane;platinum(4+);pyridine-3-carboxamide;dichloride
CID 71548674

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)pyridine-3-carboximidamide?
The IUPAC name of N'-(2-methoxyethyl)pyridine-3-carboximidamide (CID 63181303) is N'-(2-methoxyethyl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-(2-methoxyethyl)pyridine-3-carboximidamide?
The canonical SMILES for N'-(2-methoxyethyl)pyridine-3-carboximidamide is COCC/N=C(\N)c1cccnc1.
What is the InChIKey of N'-(2-methoxyethyl)pyridine-3-carboximidamide?
The InChIKey is WIEGZBVUAXUZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-13-6-5-12-9(10)8-3-2-4-11-7-8/h2-4,7H,5-6H2,1H3,(H2,10,12).
What are the key properties of N'-(2-methoxyethyl)pyridine-3-carboximidamide?
N'-(2-methoxyethyl)pyridine-3-carboximidamide has a molecular weight of 179.22 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 63181303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).