N-(pyridin-2-ylmethoxy)butanamide;hydrochloride

C10H15ClN2O2 — CID 18406825

IUPACN-(pyridin-2-ylmethoxy)butanamide;hydrochloride
SMILESCCCC(=O)NOCc1ccccn1.Cl
InChIInChI=1S/C10H14N2O2.ClH/c1-2-5-10(13)12-14-8-9-6-3-4-7-11-9;/h3-4,6-7H,2,5,8H2,1H3,(H,12,13);1H
InChIKeyNQJVEQODYKTBAR-UHFFFAOYSA-N
MW230.70 g/mol
LogP1.85
Rot. Bonds5

About N-(pyridin-2-ylmethoxy)butanamide;hydrochloride

N-(pyridin-2-ylmethoxy)butanamide;hydrochloride (PubChem CID 18406825) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.70 g/mol. Its IUPAC name is N-(pyridin-2-ylmethoxy)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(pyridin-2-ylmethoxy)butanamide;hydrochloride
PubChem CID18406825
Molecular FormulaC10H15ClN2O2
Molecular Weight230.70 g/mol
Exact Mass230.08
IUPAC NameN-(pyridin-2-ylmethoxy)butanamide;hydrochloride
SMILESCCCC(=O)NOCc1ccccn1.Cl
InChIInChI=1S/C10H14N2O2.ClH/c1-2-5-10(13)12-14-8-9-6-3-4-7-11-9;/h3-4,6-7H,2,5,8H2,1H3,(H,12,13);1H
InChIKeyNQJVEQODYKTBAR-UHFFFAOYSA-N
XLogP1.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-oxo-3-(pyridin-2-ylmethoxyamino)propyl]carbamate
CID 154760878
2,2-dimethyl-N-(pyridin-2-ylmethoxy)propanamide
CID 86795436
N-(pyridin-2-ylmethoxy)methanamine
CID 58351102
bis(pyridin-2-ylmethyl) (2R,3R)-2,3-dipropylbutanedioate
CID 102384709
bis(pyridin-2-ylmethyl) (2S,3S)-2,3-dipropylbutanedioate
CID 102384710
pyridin-2-ylmethyl (E)-2-propylhex-2-enoate
CID 102384711
N'-(2-pyridin-2-ylacetyl)pentanehydrazide
CID 91075847
N-methyl-2-(pyridin-2-ylmethoxy)acetamide
CID 66785748
pyridin-2-ylmethyl 2,2-dimethylpentanoate
CID 3053080
N-pyridin-2-yloxypropanamide
CID 22270646
pyridin-2-ylmethyl 2-aminopropanoate
CID 83529934
molecular hydrogen;N-pyridin-2-ylbutanamide
CID 142960531

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethoxy)butanamide;hydrochloride?
The IUPAC name of N-(pyridin-2-ylmethoxy)butanamide;hydrochloride (CID 18406825) is N-(pyridin-2-ylmethoxy)butanamide;hydrochloride.
What is the SMILES notation for N-(pyridin-2-ylmethoxy)butanamide;hydrochloride?
The canonical SMILES for N-(pyridin-2-ylmethoxy)butanamide;hydrochloride is CCCC(=O)NOCc1ccccn1.Cl.
What is the InChIKey of N-(pyridin-2-ylmethoxy)butanamide;hydrochloride?
The InChIKey is NQJVEQODYKTBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.ClH/c1-2-5-10(13)12-14-8-9-6-3-4-7-11-9;/h3-4,6-7H,2,5,8H2,1H3,(H,12,13);1H.
What are the key properties of N-(pyridin-2-ylmethoxy)butanamide;hydrochloride?
N-(pyridin-2-ylmethoxy)butanamide;hydrochloride has a molecular weight of 230.70 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethoxy)butanamide;hydrochloride is sourced from PubChem (CID 18406825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).