6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-2-carboximidamide

C15H17ClN4 — CID 64594775

IUPAC6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)C(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN4/c1-10(11-6-8-12(16)9-7-11)20(2)14-5-3-4-13(19-14)15(17)18/h3-10H,1-2H3,(H3,17,18)
InChIKeyQKRBHFFIHHRBKA-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.22
Rot. Bonds4

About 6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-2-carboximidamide

6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-2-carboximidamide (PubChem CID 64594775) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-2-carboximidamide.

Molecular Properties

Compound Name6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-2-carboximidamide
PubChem CID64594775
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)C(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN4/c1-10(11-6-8-12(16)9-7-11)20(2)14-5-3-4-13(19-14)15(17)18/h3-10H,1-2H3,(H3,17,18)
InChIKeyQKRBHFFIHHRBKA-UHFFFAOYSA-N
XLogP3.22
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.22
H-Bond Donors ≤ 52
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 6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-2-carboximidamide?
The IUPAC name of 6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-2-carboximidamide (CID 64594775) is 6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-2-carboximidamide.
What is the SMILES notation for 6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-2-carboximidamide?
The canonical SMILES for 6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-2-carboximidamide is [H]/N=C(\N)c1cccc(N(C)C(C)c2ccc(Cl)cc2)n1.
What is the InChIKey of 6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-2-carboximidamide?
The InChIKey is QKRBHFFIHHRBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-10(11-6-8-12(16)9-7-11)20(2)14-5-3-4-13(19-14)15(17)18/h3-10H,1-2H3,(H3,17,18).
What are the key properties of 6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-2-carboximidamide?
6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-2-carboximidamide has a molecular weight of 288.78 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-2-carboximidamide is sourced from PubChem (CID 64594775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).