N-(2-pyridin-2-ylethyl)oxane-4-carboxamide

C13H18N2O2 — CID 51073128

IUPACN-(2-pyridin-2-ylethyl)oxane-4-carboxamide
SMILESO=C(NCCc1ccccn1)C1CCOCC1
InChIInChI=1S/C13H18N2O2/c16-13(11-5-9-17-10-6-11)15-8-4-12-3-1-2-7-14-12/h1-3,7,11H,4-6,8-10H2,(H,15,16)
InChIKeyAMSYCYAODHAMBF-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.17
Rot. Bonds4

About N-(2-pyridin-2-ylethyl)oxane-4-carboxamide

N-(2-pyridin-2-ylethyl)oxane-4-carboxamide (PubChem CID 51073128) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2-pyridin-2-ylethyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-2-ylethyl)oxane-4-carboxamide
PubChem CID51073128
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2-pyridin-2-ylethyl)oxane-4-carboxamide
SMILESO=C(NCCc1ccccn1)C1CCOCC1
InChIInChI=1S/C13H18N2O2/c16-13(11-5-9-17-10-6-11)15-8-4-12-3-1-2-7-14-12/h1-3,7,11H,4-6,8-10H2,(H,15,16)
InChIKeyAMSYCYAODHAMBF-UHFFFAOYSA-N
XLogP1.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-pyridin-2-ylbutyl)oxane-4-carboxamide
CID 118773857
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
4-hydroxy-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 112530288
1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide
CID 118760765
cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 74235631
(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 178156221
3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane
CID 144736514
4-(but-3-enylamino)-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide dichloride
CID 10090644
N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752286
N-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride
CID 119827893
4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 113280565
N-[4-(pyridin-2-ylmethylamino)phenyl]oxane-4-carboxamide
CID 112982951

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-ylethyl)oxane-4-carboxamide?
The IUPAC name of N-(2-pyridin-2-ylethyl)oxane-4-carboxamide (CID 51073128) is N-(2-pyridin-2-ylethyl)oxane-4-carboxamide.
What is the SMILES notation for N-(2-pyridin-2-ylethyl)oxane-4-carboxamide?
The canonical SMILES for N-(2-pyridin-2-ylethyl)oxane-4-carboxamide is O=C(NCCc1ccccn1)C1CCOCC1.
What is the InChIKey of N-(2-pyridin-2-ylethyl)oxane-4-carboxamide?
The InChIKey is AMSYCYAODHAMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13(11-5-9-17-10-6-11)15-8-4-12-3-1-2-7-14-12/h1-3,7,11H,4-6,8-10H2,(H,15,16).
What are the key properties of N-(2-pyridin-2-ylethyl)oxane-4-carboxamide?
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylethyl)oxane-4-carboxamide is sourced from PubChem (CID 51073128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).