1,5-dibutoxy-2-[(hydroxyamino)methyl]pyridin-4-one

C14H24N2O4 — CID 118102216

IUPAC1,5-dibutoxy-2-[(hydroxyamino)methyl]pyridin-4-one
SMILESCCCCOc1cn(OCCCC)c(CNO)cc1=O
InChIInChI=1S/C14H24N2O4/c1-3-5-7-19-14-11-16(20-8-6-4-2)12(10-15-18)9-13(14)17/h9,11,15,18H,3-8,10H2,1-2H3
InChIKeyPBSIVHUJERHZQW-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.73
Rot. Bonds10

About 1,5-dibutoxy-2-[(hydroxyamino)methyl]pyridin-4-one

1,5-dibutoxy-2-[(hydroxyamino)methyl]pyridin-4-one (PubChem CID 118102216) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1,5-dibutoxy-2-[(hydroxyamino)methyl]pyridin-4-one.

Molecular Properties

Compound Name1,5-dibutoxy-2-[(hydroxyamino)methyl]pyridin-4-one
PubChem CID118102216
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1,5-dibutoxy-2-[(hydroxyamino)methyl]pyridin-4-one
SMILESCCCCOc1cn(OCCCC)c(CNO)cc1=O
InChIInChI=1S/C14H24N2O4/c1-3-5-7-19-14-11-16(20-8-6-4-2)12(10-15-18)9-13(14)17/h9,11,15,18H,3-8,10H2,1-2H3
InChIKeyPBSIVHUJERHZQW-UHFFFAOYSA-N
XLogP1.73
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 1,5-dibutoxy-2-[(hydroxyamino)methyl]pyridin-4-one?
The IUPAC name of 1,5-dibutoxy-2-[(hydroxyamino)methyl]pyridin-4-one (CID 118102216) is 1,5-dibutoxy-2-[(hydroxyamino)methyl]pyridin-4-one.
What is the SMILES notation for 1,5-dibutoxy-2-[(hydroxyamino)methyl]pyridin-4-one?
The canonical SMILES for 1,5-dibutoxy-2-[(hydroxyamino)methyl]pyridin-4-one is CCCCOc1cn(OCCCC)c(CNO)cc1=O.
What is the InChIKey of 1,5-dibutoxy-2-[(hydroxyamino)methyl]pyridin-4-one?
The InChIKey is PBSIVHUJERHZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-5-7-19-14-11-16(20-8-6-4-2)12(10-15-18)9-13(14)17/h9,11,15,18H,3-8,10H2,1-2H3.
What are the key properties of 1,5-dibutoxy-2-[(hydroxyamino)methyl]pyridin-4-one?
1,5-dibutoxy-2-[(hydroxyamino)methyl]pyridin-4-one has a molecular weight of 284.36 g/mol, XLogP of 1.73, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibutoxy-2-[(hydroxyamino)methyl]pyridin-4-one is sourced from PubChem (CID 118102216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).