N-[(2-ethoxy-3-pyridinyl)methyl]cyclobutanecarboxamide

C13H18N2O2 — CID 53184896

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]cyclobutanecarboxamide
SMILESCCOc1ncccc1CNC(=O)C1CCC1
InChIInChI=1S/C13H18N2O2/c1-2-17-13-11(7-4-8-14-13)9-15-12(16)10-5-3-6-10/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,15,16)
InChIKeyXMNBORXUMDUWIB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.90
Rot. Bonds5

About N-[(2-ethoxy-3-pyridinyl)methyl]cyclobutanecarboxamide

N-[(2-ethoxy-3-pyridinyl)methyl]cyclobutanecarboxamide (PubChem CID 53184896) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]cyclobutanecarboxamide
PubChem CID53184896
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]cyclobutanecarboxamide
SMILESCCOc1ncccc1CNC(=O)C1CCC1
InChIInChI=1S/C13H18N2O2/c1-2-17-13-11(7-4-8-14-13)9-15-12(16)10-5-3-6-10/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,15,16)
InChIKeyXMNBORXUMDUWIB-UHFFFAOYSA-N
XLogP1.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]cyclobutanecarboxamide (CID 53184896) is N-[(2-ethoxy-3-pyridinyl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]cyclobutanecarboxamide is CCOc1ncccc1CNC(=O)C1CCC1.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]cyclobutanecarboxamide?
The InChIKey is XMNBORXUMDUWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-17-13-11(7-4-8-14-13)9-15-12(16)10-5-3-6-10/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,15,16).
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]cyclobutanecarboxamide?
N-[(2-ethoxy-3-pyridinyl)methyl]cyclobutanecarboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 53184896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).