2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide

C12H12N4O — CID 82240665

IUPAC2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1OCc1ccccn1
InChIInChI=1S/C12H12N4O/c13-11(14)10-5-3-7-16-12(10)17-8-9-4-1-2-6-15-9/h1-7H,8H2,(H3,13,14)
InChIKeyRZJNTXPTGBIEQK-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.34
Rot. Bonds4

About 2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide

2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide (PubChem CID 82240665) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
PubChem CID82240665
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1OCc1ccccn1
InChIInChI=1S/C12H12N4O/c13-11(14)10-5-3-7-16-12(10)17-8-9-4-1-2-6-15-9/h1-7H,8H2,(H3,13,14)
InChIKeyRZJNTXPTGBIEQK-UHFFFAOYSA-N
XLogP1.34
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.34
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-[(2-fluorophenyl)methoxy]pyridine-3-carboximidamide
CID 63937561
2-hexoxypyridine-3-carboximidamide
CID 29002899
2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride
CID 82240751
2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
CID 24699862
2-[(1-methylpyrazol-4-yl)methoxy]pyridine-3-carboximidamide
CID 82253313
2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride
CID 82253262
2-(2-methylphenoxy)pyridine-3-carboximidamide
CID 24707903
2-(2-methylpentoxy)pyridine-3-carboximidamide
CID 103283937
3-methoxy-5-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 103567774
2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 114323465
3-phenylmethoxypyridazine-4-carboximidamide
CID 80514143
2-(2-phenylphenoxy)pyridine-3-carboximidamide
CID 24699943

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide?
The IUPAC name of 2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide (CID 82240665) is 2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide?
The canonical SMILES for 2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide is [H]/N=C(\N)c1cccnc1OCc1ccccn1.
What is the InChIKey of 2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide?
The InChIKey is RZJNTXPTGBIEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-11(14)10-5-3-7-16-12(10)17-8-9-4-1-2-6-15-9/h1-7H,8H2,(H3,13,14).
What are the key properties of 2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide?
2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide has a molecular weight of 228.26 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 82240665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).