6-(hydroxyiminomethyl)-N-propylpyridine-3-carboxamide

C10H13N3O2 — CID 135500225

IUPAC6-(hydroxyiminomethyl)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(C=NO)nc1
InChIInChI=1S/C10H13N3O2/c1-2-5-11-10(14)8-3-4-9(7-13-15)12-6-8/h3-4,6-7,15H,2,5H2,1H3,(H,11,14)
InChIKeyVCEABCURSPOLKI-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.03
Rot. Bonds4

About 6-(hydroxyiminomethyl)-N-propylpyridine-3-carboxamide

6-(hydroxyiminomethyl)-N-propylpyridine-3-carboxamide (PubChem CID 135500225) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 6-(hydroxyiminomethyl)-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(hydroxyiminomethyl)-N-propylpyridine-3-carboxamide
PubChem CID135500225
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name6-(hydroxyiminomethyl)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(C=NO)nc1
InChIInChI=1S/C10H13N3O2/c1-2-5-11-10(14)8-3-4-9(7-13-15)12-6-8/h3-4,6-7,15H,2,5H2,1H3,(H,11,14)
InChIKeyVCEABCURSPOLKI-UHFFFAOYSA-N
XLogP1.03
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N-(2-aminoethyl)-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide
CID 135495466
6-[(E)-hydroxyiminomethyl]-N-[2-(pyridine-4-carbonylamino)ethyl]pyridine-3-carboxamide
CID 135644447
N-[2-(2-hydroxyethylamino)ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide
CID 136801858
N-(4-aminobutyl)-6-(hydroxyiminomethyl)pyridine-3-carboxamide
CID 135503305
N-[2-[benzyl(methyl)amino]ethyl]-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide
CID 135513618
N-[2-[benzyl(methyl)amino]ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide
CID 135873461
6-(hydroxyiminomethyl)-N-(piperidin-1-ium-4-ylmethyl)pyridine-3-carboxamide
CID 135499012
5-N-propylpyridine-2,5-dicarboxamide
CID 47460537
benzyl-dimethyl-[2-[[6-[(E)-oxidoiminomethyl]pyridine-3-carbonyl]amino]ethyl]azanium
CID 131666000
N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 102199580
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243
6-(1-methylsulfanylpropan-2-ylamino)-N-propylpyridine-3-carboxamide
CID 133311932

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxyiminomethyl)-N-propylpyridine-3-carboxamide?
The IUPAC name of 6-(hydroxyiminomethyl)-N-propylpyridine-3-carboxamide (CID 135500225) is 6-(hydroxyiminomethyl)-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 6-(hydroxyiminomethyl)-N-propylpyridine-3-carboxamide?
The canonical SMILES for 6-(hydroxyiminomethyl)-N-propylpyridine-3-carboxamide is CCCNC(=O)c1ccc(C=NO)nc1.
What is the InChIKey of 6-(hydroxyiminomethyl)-N-propylpyridine-3-carboxamide?
The InChIKey is VCEABCURSPOLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-2-5-11-10(14)8-3-4-9(7-13-15)12-6-8/h3-4,6-7,15H,2,5H2,1H3,(H,11,14).
What are the key properties of 6-(hydroxyiminomethyl)-N-propylpyridine-3-carboxamide?
6-(hydroxyiminomethyl)-N-propylpyridine-3-carboxamide has a molecular weight of 207.23 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxyiminomethyl)-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 135500225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).