N'-(3-butyl-4-chloro-6-methyl-2-pyridinyl)methanimidamide

C11H16ClN3 — CID 139540632

IUPACN'-(3-butyl-4-chloro-6-methyl-2-pyridinyl)methanimidamide
SMILESCCCCc1c(Cl)cc(C)nc1/N=C/N
InChIInChI=1S/C11H16ClN3/c1-3-4-5-9-10(12)6-8(2)15-11(9)14-7-13/h6-7H,3-5H2,1-2H3,(H2,13,14,15)
InChIKeyACWBKCGFOOQNNF-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.00
Rot. Bonds4

About N'-(3-butyl-4-chloro-6-methyl-2-pyridinyl)methanimidamide

N'-(3-butyl-4-chloro-6-methyl-2-pyridinyl)methanimidamide (PubChem CID 139540632) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is N'-(3-butyl-4-chloro-6-methyl-2-pyridinyl)methanimidamide.

Molecular Properties

Compound NameN'-(3-butyl-4-chloro-6-methyl-2-pyridinyl)methanimidamide
PubChem CID139540632
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC NameN'-(3-butyl-4-chloro-6-methyl-2-pyridinyl)methanimidamide
SMILESCCCCc1c(Cl)cc(C)nc1/N=C/N
InChIInChI=1S/C11H16ClN3/c1-3-4-5-9-10(12)6-8(2)15-11(9)14-7-13/h6-7H,3-5H2,1-2H3,(H2,13,14,15)
InChIKeyACWBKCGFOOQNNF-UHFFFAOYSA-N
XLogP3.00
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N'-(3-butyl-4-chloro-6-methyl-2-pyridinyl)methanimidamide?
The IUPAC name of N'-(3-butyl-4-chloro-6-methyl-2-pyridinyl)methanimidamide (CID 139540632) is N'-(3-butyl-4-chloro-6-methyl-2-pyridinyl)methanimidamide.
What is the SMILES notation for N'-(3-butyl-4-chloro-6-methyl-2-pyridinyl)methanimidamide?
The canonical SMILES for N'-(3-butyl-4-chloro-6-methyl-2-pyridinyl)methanimidamide is CCCCc1c(Cl)cc(C)nc1/N=C/N.
What is the InChIKey of N'-(3-butyl-4-chloro-6-methyl-2-pyridinyl)methanimidamide?
The InChIKey is ACWBKCGFOOQNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-3-4-5-9-10(12)6-8(2)15-11(9)14-7-13/h6-7H,3-5H2,1-2H3,(H2,13,14,15).
What are the key properties of N'-(3-butyl-4-chloro-6-methyl-2-pyridinyl)methanimidamide?
N'-(3-butyl-4-chloro-6-methyl-2-pyridinyl)methanimidamide has a molecular weight of 225.72 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-butyl-4-chloro-6-methyl-2-pyridinyl)methanimidamide is sourced from PubChem (CID 139540632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).