N-(1-pyridin-2-ylethyl)oxolane-2-carboxamide

C12H16N2O2 — CID 42905811

IUPACN-(1-pyridin-2-ylethyl)oxolane-2-carboxamide
SMILESCC(NC(=O)C1CCCO1)c1ccccn1
InChIInChI=1S/C12H16N2O2/c1-9(10-5-2-3-7-13-10)14-12(15)11-6-4-8-16-11/h2-3,5,7,9,11H,4,6,8H2,1H3,(H,14,15)
InChIKeyYDOXJWIENLAHLQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.44
Rot. Bonds3

About N-(1-pyridin-2-ylethyl)oxolane-2-carboxamide

N-(1-pyridin-2-ylethyl)oxolane-2-carboxamide (PubChem CID 42905811) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(1-pyridin-2-ylethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1-pyridin-2-ylethyl)oxolane-2-carboxamide
PubChem CID42905811
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(1-pyridin-2-ylethyl)oxolane-2-carboxamide
SMILESCC(NC(=O)C1CCCO1)c1ccccn1
InChIInChI=1S/C12H16N2O2/c1-9(10-5-2-3-7-13-10)14-12(15)11-6-4-8-16-11/h2-3,5,7,9,11H,4,6,8H2,1H3,(H,14,15)
InChIKeyYDOXJWIENLAHLQ-UHFFFAOYSA-N
XLogP1.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylethyl)oxolane-2-carboxamide?
The IUPAC name of N-(1-pyridin-2-ylethyl)oxolane-2-carboxamide (CID 42905811) is N-(1-pyridin-2-ylethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(1-pyridin-2-ylethyl)oxolane-2-carboxamide?
The canonical SMILES for N-(1-pyridin-2-ylethyl)oxolane-2-carboxamide is CC(NC(=O)C1CCCO1)c1ccccn1.
What is the InChIKey of N-(1-pyridin-2-ylethyl)oxolane-2-carboxamide?
The InChIKey is YDOXJWIENLAHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(10-5-2-3-7-13-10)14-12(15)11-6-4-8-16-11/h2-3,5,7,9,11H,4,6,8H2,1H3,(H,14,15).
What are the key properties of N-(1-pyridin-2-ylethyl)oxolane-2-carboxamide?
N-(1-pyridin-2-ylethyl)oxolane-2-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylethyl)oxolane-2-carboxamide is sourced from PubChem (CID 42905811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).