N-(4-aminooxybutyl)pyridine-4-carboxamide

C10H15N3O2 — CID 139932357

IUPACN-(4-aminooxybutyl)pyridine-4-carboxamide
SMILESNOCCCCNC(=O)c1ccncc1
InChIInChI=1S/C10H15N3O2/c11-15-8-2-1-5-13-10(14)9-3-6-12-7-4-9/h3-4,6-7H,1-2,5,8,11H2,(H,13,14)
InChIKeyCMUKNJBZPDVFOG-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.48
Rot. Bonds6

About N-(4-aminooxybutyl)pyridine-4-carboxamide

N-(4-aminooxybutyl)pyridine-4-carboxamide (PubChem CID 139932357) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(4-aminooxybutyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminooxybutyl)pyridine-4-carboxamide
PubChem CID139932357
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-(4-aminooxybutyl)pyridine-4-carboxamide
SMILESNOCCCCNC(=O)c1ccncc1
InChIInChI=1S/C10H15N3O2/c11-15-8-2-1-5-13-10(14)9-3-6-12-7-4-9/h3-4,6-7H,1-2,5,8,11H2,(H,13,14)
InChIKeyCMUKNJBZPDVFOG-UHFFFAOYSA-N
XLogP0.48
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(pyridine-4-carbonylamino)propyl hydrogen carbonate
CID 130453907
N-pentylpyridine-4-carboxamide
CID 2307296
N-hexylpyridine-4-carboxamide
CID 3423732
N-butylpyridine-4-carboxamide
CID 5030535
N-(3-aminooxypropyl)-4-methylbenzamide
CID 39242066
methyl 6-(pyridine-4-carbonylamino)hexanoate
CID 39070425
N-(3-pyridin-4-ylsulfanylpropyl)pyridine-4-carboxamide
CID 67740105
N-(3-sulfamoylpropyl)pyridine-4-carboxamide
CID 47337075
N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
CID 47473376
N-(2-trimethylsilyloxyethyl)pyridine-4-carboxamide
CID 11064466
tert-butyl N-[3-(pyridine-4-carbonylamino)propyl]carbamate
CID 18510355
2-benzamidoethyl pyridine-4-carboxylate
CID 2174536

Frequently Asked Questions

What is the IUPAC name of N-(4-aminooxybutyl)pyridine-4-carboxamide?
The IUPAC name of N-(4-aminooxybutyl)pyridine-4-carboxamide (CID 139932357) is N-(4-aminooxybutyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-aminooxybutyl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-aminooxybutyl)pyridine-4-carboxamide is NOCCCCNC(=O)c1ccncc1.
What is the InChIKey of N-(4-aminooxybutyl)pyridine-4-carboxamide?
The InChIKey is CMUKNJBZPDVFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-15-8-2-1-5-13-10(14)9-3-6-12-7-4-9/h3-4,6-7H,1-2,5,8,11H2,(H,13,14).
What are the key properties of N-(4-aminooxybutyl)pyridine-4-carboxamide?
N-(4-aminooxybutyl)pyridine-4-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminooxybutyl)pyridine-4-carboxamide is sourced from PubChem (CID 139932357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).