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

C15H22N2O2 — CID 118773857

IUPACN-(4-pyridin-2-ylbutyl)oxane-4-carboxamide
SMILESO=C(NCCCCc1ccccn1)C1CCOCC1
InChIInChI=1S/C15H22N2O2/c18-15(13-7-11-19-12-8-13)17-10-4-2-6-14-5-1-3-9-16-14/h1,3,5,9,13H,2,4,6-8,10-12H2,(H,17,18)
InChIKeyJTDJZCINKXLHDE-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds6

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

N-(4-pyridin-2-ylbutyl)oxane-4-carboxamide (PubChem CID 118773857) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(4-pyridin-2-ylbutyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-pyridin-2-ylbutyl)oxane-4-carboxamide
PubChem CID118773857
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(4-pyridin-2-ylbutyl)oxane-4-carboxamide
SMILESO=C(NCCCCc1ccccn1)C1CCOCC1
InChIInChI=1S/C15H22N2O2/c18-15(13-7-11-19-12-8-13)17-10-4-2-6-14-5-1-3-9-16-14/h1,3,5,9,13H,2,4,6-8,10-12H2,(H,17,18)
InChIKeyJTDJZCINKXLHDE-UHFFFAOYSA-N
XLogP1.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide
CID 118760765
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide
CID 122565402
4-hydroxy-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 112530288
2,2,3,3-tetramethyl-N-(4-pyridin-2-ylbutyl)cyclopropane-1-carboxamide
CID 11173396
N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide;dihydrochloride
CID 154910386
(1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide
CID 155501002
N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752286
(3S)-1-cycloheptyl-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide
CID 42292351
cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 74235631
N-[4-(pyridin-2-ylmethylamino)phenyl]oxane-4-carboxamide
CID 112982951

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-2-ylbutyl)oxane-4-carboxamide?
The IUPAC name of N-(4-pyridin-2-ylbutyl)oxane-4-carboxamide (CID 118773857) is N-(4-pyridin-2-ylbutyl)oxane-4-carboxamide.
What is the SMILES notation for N-(4-pyridin-2-ylbutyl)oxane-4-carboxamide?
The canonical SMILES for N-(4-pyridin-2-ylbutyl)oxane-4-carboxamide is O=C(NCCCCc1ccccn1)C1CCOCC1.
What is the InChIKey of N-(4-pyridin-2-ylbutyl)oxane-4-carboxamide?
The InChIKey is JTDJZCINKXLHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-15(13-7-11-19-12-8-13)17-10-4-2-6-14-5-1-3-9-16-14/h1,3,5,9,13H,2,4,6-8,10-12H2,(H,17,18).
What are the key properties of N-(4-pyridin-2-ylbutyl)oxane-4-carboxamide?
N-(4-pyridin-2-ylbutyl)oxane-4-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-2-ylbutyl)oxane-4-carboxamide is sourced from PubChem (CID 118773857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).