N'-butyl-N-(4-chlorophenyl)pyridine-3-carboximidamide

C16H18ClN3 — CID 3758243

IUPACN'-butyl-N-(4-chlorophenyl)pyridine-3-carboximidamide
SMILESCCCC/N=C(/Nc1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C16H18ClN3/c1-2-3-11-19-16(13-5-4-10-18-12-13)20-15-8-6-14(17)7-9-15/h4-10,12H,2-3,11H2,1H3,(H,19,20)
InChIKeyYLGSKIYRXQWETP-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.39
Rot. Bonds5

About N'-butyl-N-(4-chlorophenyl)pyridine-3-carboximidamide

N'-butyl-N-(4-chlorophenyl)pyridine-3-carboximidamide (PubChem CID 3758243) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is N'-butyl-N-(4-chlorophenyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-butyl-N-(4-chlorophenyl)pyridine-3-carboximidamide
PubChem CID3758243
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC NameN'-butyl-N-(4-chlorophenyl)pyridine-3-carboximidamide
SMILESCCCC/N=C(/Nc1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C16H18ClN3/c1-2-3-11-19-16(13-5-4-10-18-12-13)20-15-8-6-14(17)7-9-15/h4-10,12H,2-3,11H2,1H3,(H,19,20)
InChIKeyYLGSKIYRXQWETP-UHFFFAOYSA-N
XLogP4.39
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N'-butyl-N-(4-chlorophenyl)pyridine-3-carboximidamide?
The IUPAC name of N'-butyl-N-(4-chlorophenyl)pyridine-3-carboximidamide (CID 3758243) is N'-butyl-N-(4-chlorophenyl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-butyl-N-(4-chlorophenyl)pyridine-3-carboximidamide?
The canonical SMILES for N'-butyl-N-(4-chlorophenyl)pyridine-3-carboximidamide is CCCC/N=C(/Nc1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of N'-butyl-N-(4-chlorophenyl)pyridine-3-carboximidamide?
The InChIKey is YLGSKIYRXQWETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-2-3-11-19-16(13-5-4-10-18-12-13)20-15-8-6-14(17)7-9-15/h4-10,12H,2-3,11H2,1H3,(H,19,20).
What are the key properties of N'-butyl-N-(4-chlorophenyl)pyridine-3-carboximidamide?
N'-butyl-N-(4-chlorophenyl)pyridine-3-carboximidamide has a molecular weight of 287.79 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-(4-chlorophenyl)pyridine-3-carboximidamide is sourced from PubChem (CID 3758243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).