3-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carboximidamide

C12H15N5 — CID 62895246

IUPAC3-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1Cn1ccnc1CC
InChIInChI=1S/C12H15N5/c1-2-10-15-6-7-17(10)8-9-4-3-5-16-11(9)12(13)14/h3-7H,2,8H2,1H3,(H3,13,14)
InChIKeyOVQXVIWRYWLONY-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.17
Rot. Bonds4

About 3-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carboximidamide

3-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carboximidamide (PubChem CID 62895246) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 3-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carboximidamide
PubChem CID62895246
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name3-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1Cn1ccnc1CC
InChIInChI=1S/C12H15N5/c1-2-10-15-6-7-17(10)8-9-4-3-5-16-11(9)12(13)14/h3-7H,2,8H2,1H3,(H3,13,14)
InChIKeyOVQXVIWRYWLONY-UHFFFAOYSA-N
XLogP1.17
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.17
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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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carboximidamide (CID 62895246) is 3-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1Cn1ccnc1CC.
What is the InChIKey of 3-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carboximidamide?
The InChIKey is OVQXVIWRYWLONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-2-10-15-6-7-17(10)8-9-4-3-5-16-11(9)12(13)14/h3-7H,2,8H2,1H3,(H3,13,14).
What are the key properties of 3-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carboximidamide?
3-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carboximidamide has a molecular weight of 229.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 62895246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).