3-methyl-N'-(5-methyl-2-pyridinyl)-N-prop-1-en-2-ylbut-2-enimidamide

C14H19N3 — CID 123336597

IUPAC3-methyl-N'-(5-methyl-2-pyridinyl)-N-prop-1-en-2-ylbut-2-enimidamide
SMILESC=C(C)N/C(C=C(C)C)=N/c1ccc(C)cn1
InChIInChI=1S/C14H19N3/c1-10(2)8-14(16-11(3)4)17-13-7-6-12(5)9-15-13/h6-9H,3H2,1-2,4-5H3,(H,15,16,17)
InChIKeyGOOIJQAAOIQLJI-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.51
Rot. Bonds3

About 3-methyl-N'-(5-methyl-2-pyridinyl)-N-prop-1-en-2-ylbut-2-enimidamide

3-methyl-N'-(5-methyl-2-pyridinyl)-N-prop-1-en-2-ylbut-2-enimidamide (PubChem CID 123336597) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-methyl-N'-(5-methyl-2-pyridinyl)-N-prop-1-en-2-ylbut-2-enimidamide.

Molecular Properties

Compound Name3-methyl-N'-(5-methyl-2-pyridinyl)-N-prop-1-en-2-ylbut-2-enimidamide
PubChem CID123336597
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-methyl-N'-(5-methyl-2-pyridinyl)-N-prop-1-en-2-ylbut-2-enimidamide
SMILESC=C(C)N/C(C=C(C)C)=N/c1ccc(C)cn1
InChIInChI=1S/C14H19N3/c1-10(2)8-14(16-11(3)4)17-13-7-6-12(5)9-15-13/h6-9H,3H2,1-2,4-5H3,(H,15,16,17)
InChIKeyGOOIJQAAOIQLJI-UHFFFAOYSA-N
XLogP3.51
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.51
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 3-methyl-N'-(5-methyl-2-pyridinyl)-N-prop-1-en-2-ylbut-2-enimidamide?
The IUPAC name of 3-methyl-N'-(5-methyl-2-pyridinyl)-N-prop-1-en-2-ylbut-2-enimidamide (CID 123336597) is 3-methyl-N'-(5-methyl-2-pyridinyl)-N-prop-1-en-2-ylbut-2-enimidamide.
What is the SMILES notation for 3-methyl-N'-(5-methyl-2-pyridinyl)-N-prop-1-en-2-ylbut-2-enimidamide?
The canonical SMILES for 3-methyl-N'-(5-methyl-2-pyridinyl)-N-prop-1-en-2-ylbut-2-enimidamide is C=C(C)N/C(C=C(C)C)=N/c1ccc(C)cn1.
What is the InChIKey of 3-methyl-N'-(5-methyl-2-pyridinyl)-N-prop-1-en-2-ylbut-2-enimidamide?
The InChIKey is GOOIJQAAOIQLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10(2)8-14(16-11(3)4)17-13-7-6-12(5)9-15-13/h6-9H,3H2,1-2,4-5H3,(H,15,16,17).
What are the key properties of 3-methyl-N'-(5-methyl-2-pyridinyl)-N-prop-1-en-2-ylbut-2-enimidamide?
3-methyl-N'-(5-methyl-2-pyridinyl)-N-prop-1-en-2-ylbut-2-enimidamide has a molecular weight of 229.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(5-methyl-2-pyridinyl)-N-prop-1-en-2-ylbut-2-enimidamide is sourced from PubChem (CID 123336597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).