4-(1-methylcyclopropyl)pyridine-2,6-dicarboximidamide

C11H15N5 — CID 175627216

IUPAC4-(1-methylcyclopropyl)pyridine-2,6-dicarboximidamide
SMILES[H]/N=C(\N)c1cc(C2(C)CC2)cc(/C(N)=N/[H])n1
InChIInChI=1S/C11H15N5/c1-11(2-3-11)6-4-7(9(12)13)16-8(5-6)10(14)15/h4-5H,2-3H2,1H3,(H3,12,13)(H3,14,15)
InChIKeyJJWYGNCCIYZYBN-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.70
Rot. Bonds3

About 4-(1-methylcyclopropyl)pyridine-2,6-dicarboximidamide

4-(1-methylcyclopropyl)pyridine-2,6-dicarboximidamide (PubChem CID 175627216) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 4-(1-methylcyclopropyl)pyridine-2,6-dicarboximidamide.

Molecular Properties

Compound Name4-(1-methylcyclopropyl)pyridine-2,6-dicarboximidamide
PubChem CID175627216
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name4-(1-methylcyclopropyl)pyridine-2,6-dicarboximidamide
SMILES[H]/N=C(\N)c1cc(C2(C)CC2)cc(/C(N)=N/[H])n1
InChIInChI=1S/C11H15N5/c1-11(2-3-11)6-4-7(9(12)13)16-8(5-6)10(14)15/h4-5H,2-3H2,1H3,(H3,12,13)(H3,14,15)
InChIKeyJJWYGNCCIYZYBN-UHFFFAOYSA-N
XLogP0.70
TPSA112.63 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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 4-(1-methylcyclopropyl)pyridine-2,6-dicarboximidamide?
The IUPAC name of 4-(1-methylcyclopropyl)pyridine-2,6-dicarboximidamide (CID 175627216) is 4-(1-methylcyclopropyl)pyridine-2,6-dicarboximidamide.
What is the SMILES notation for 4-(1-methylcyclopropyl)pyridine-2,6-dicarboximidamide?
The canonical SMILES for 4-(1-methylcyclopropyl)pyridine-2,6-dicarboximidamide is [H]/N=C(\N)c1cc(C2(C)CC2)cc(/C(N)=N/[H])n1.
What is the InChIKey of 4-(1-methylcyclopropyl)pyridine-2,6-dicarboximidamide?
The InChIKey is JJWYGNCCIYZYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-11(2-3-11)6-4-7(9(12)13)16-8(5-6)10(14)15/h4-5H,2-3H2,1H3,(H3,12,13)(H3,14,15).
What are the key properties of 4-(1-methylcyclopropyl)pyridine-2,6-dicarboximidamide?
4-(1-methylcyclopropyl)pyridine-2,6-dicarboximidamide has a molecular weight of 217.28 g/mol, XLogP of 0.70, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylcyclopropyl)pyridine-2,6-dicarboximidamide is sourced from PubChem (CID 175627216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).