5-(but-1-en-2-yloxymethyl)pyridine-3-carboxamide

C11H14N2O2 — CID 163813749

IUPAC5-(but-1-en-2-yloxymethyl)pyridine-3-carboxamide
SMILESC=C(CC)OCc1cncc(C(N)=O)c1
InChIInChI=1S/C11H14N2O2/c1-3-8(2)15-7-9-4-10(11(12)14)6-13-5-9/h4-6H,2-3,7H2,1H3,(H2,12,14)
InChIKeyNPNQLMSFBVVVFH-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.62
Rot. Bonds5

About 5-(but-1-en-2-yloxymethyl)pyridine-3-carboxamide

5-(but-1-en-2-yloxymethyl)pyridine-3-carboxamide (PubChem CID 163813749) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 5-(but-1-en-2-yloxymethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(but-1-en-2-yloxymethyl)pyridine-3-carboxamide
PubChem CID163813749
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name5-(but-1-en-2-yloxymethyl)pyridine-3-carboxamide
SMILESC=C(CC)OCc1cncc(C(N)=O)c1
InChIInChI=1S/C11H14N2O2/c1-3-8(2)15-7-9-4-10(11(12)14)6-13-5-9/h4-6H,2-3,7H2,1H3,(H2,12,14)
InChIKeyNPNQLMSFBVVVFH-UHFFFAOYSA-N
XLogP1.62
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(but-1-en-2-yloxymethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(but-1-en-2-yloxymethyl)pyridine-3-carboxamide (CID 163813749) is 5-(but-1-en-2-yloxymethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(but-1-en-2-yloxymethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(but-1-en-2-yloxymethyl)pyridine-3-carboxamide is C=C(CC)OCc1cncc(C(N)=O)c1.
What is the InChIKey of 5-(but-1-en-2-yloxymethyl)pyridine-3-carboxamide?
The InChIKey is NPNQLMSFBVVVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-8(2)15-7-9-4-10(11(12)14)6-13-5-9/h4-6H,2-3,7H2,1H3,(H2,12,14).
What are the key properties of 5-(but-1-en-2-yloxymethyl)pyridine-3-carboxamide?
5-(but-1-en-2-yloxymethyl)pyridine-3-carboxamide has a molecular weight of 206.24 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(but-1-en-2-yloxymethyl)pyridine-3-carboxamide is sourced from PubChem (CID 163813749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).