6-(hydroxyiminomethyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C12H15N3O3 — CID 135499013

IUPAC6-(hydroxyiminomethyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(C=NO)nc1
InChIInChI=1S/C12H15N3O3/c16-12(14-8-11-2-1-5-18-11)9-3-4-10(7-15-17)13-6-9/h3-4,6-7,11,17H,1-2,5,8H2,(H,14,16)
InChIKeyCBNJCZLIBCNXFP-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.80
Rot. Bonds4

About 6-(hydroxyiminomethyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

6-(hydroxyiminomethyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 135499013) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-(hydroxyiminomethyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(hydroxyiminomethyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID135499013
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name6-(hydroxyiminomethyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(C=NO)nc1
InChIInChI=1S/C12H15N3O3/c16-12(14-8-11-2-1-5-18-11)9-3-4-10(7-15-17)13-6-9/h3-4,6-7,11,17H,1-2,5,8H2,(H,14,16)
InChIKeyCBNJCZLIBCNXFP-UHFFFAOYSA-N
XLogP0.80
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 6-(hydroxyiminomethyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(hydroxyiminomethyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 135499013) is 6-(hydroxyiminomethyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(hydroxyiminomethyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(hydroxyiminomethyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CCCO1)c1ccc(C=NO)nc1.
What is the InChIKey of 6-(hydroxyiminomethyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is CBNJCZLIBCNXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-12(14-8-11-2-1-5-18-11)9-3-4-10(7-15-17)13-6-9/h3-4,6-7,11,17H,1-2,5,8H2,(H,14,16).
What are the key properties of 6-(hydroxyiminomethyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
6-(hydroxyiminomethyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxyiminomethyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 135499013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).