4-(oxan-2-ylmethoxy)pyridine-2-carboximidamide

C12H17N3O2 — CID 55157630

IUPAC4-(oxan-2-ylmethoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(OCC2CCCCO2)ccn1
InChIInChI=1S/C12H17N3O2/c13-12(14)11-7-9(4-5-15-11)17-8-10-3-1-2-6-16-10/h4-5,7,10H,1-3,6,8H2,(H3,13,14)
InChIKeyIEWPTWVWTGFWFV-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.31
Rot. Bonds4

About 4-(oxan-2-ylmethoxy)pyridine-2-carboximidamide

4-(oxan-2-ylmethoxy)pyridine-2-carboximidamide (PubChem CID 55157630) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(oxan-2-ylmethoxy)pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(oxan-2-ylmethoxy)pyridine-2-carboximidamide
PubChem CID55157630
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-(oxan-2-ylmethoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(OCC2CCCCO2)ccn1
InChIInChI=1S/C12H17N3O2/c13-12(14)11-7-9(4-5-15-11)17-8-10-3-1-2-6-16-10/h4-5,7,10H,1-3,6,8H2,(H3,13,14)
InChIKeyIEWPTWVWTGFWFV-UHFFFAOYSA-N
XLogP1.31
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.31
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'}

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Related Compounds

2-(oxan-2-ylmethoxy)pyrimidine-4-carboximidamide
CID 107550899
3-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 24696878
4-(2-methylcyclohexyl)oxypyridine-2-carboximidamide
CID 62924444
4-(oxolan-2-ylmethoxy)pyridine-2-carbonitrile
CID 62936750
5-[methyl(oxan-2-ylmethyl)amino]pyridine-2-carboximidamide
CID 113321204
4,6-dimethyl-2-[4-(oxan-2-ylmethoxy)phenyl]sulfanylpyrimidine
CID 3327394
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
2-[(4-chloro-3-fluorophenoxy)methyl]oxane
CID 82705903
1-methyl-4-(oxan-2-ylmethoxy)pyrazole
CID 116793926
3-[[(2S)-oxan-2-yl]methoxy]benzaldehyde
CID 93037571
4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride
CID 19988643
5,6-diethyl-3-(oxolan-2-ylmethoxy)pyridazine-4-carboximidamide
CID 80514008

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-ylmethoxy)pyridine-2-carboximidamide?
The IUPAC name of 4-(oxan-2-ylmethoxy)pyridine-2-carboximidamide (CID 55157630) is 4-(oxan-2-ylmethoxy)pyridine-2-carboximidamide.
What is the SMILES notation for 4-(oxan-2-ylmethoxy)pyridine-2-carboximidamide?
The canonical SMILES for 4-(oxan-2-ylmethoxy)pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(OCC2CCCCO2)ccn1.
What is the InChIKey of 4-(oxan-2-ylmethoxy)pyridine-2-carboximidamide?
The InChIKey is IEWPTWVWTGFWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-12(14)11-7-9(4-5-15-11)17-8-10-3-1-2-6-16-10/h4-5,7,10H,1-3,6,8H2,(H3,13,14).
What are the key properties of 4-(oxan-2-ylmethoxy)pyridine-2-carboximidamide?
4-(oxan-2-ylmethoxy)pyridine-2-carboximidamide has a molecular weight of 235.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-ylmethoxy)pyridine-2-carboximidamide is sourced from PubChem (CID 55157630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).