6-(hydroxyiminomethyl)-N-(piperidin-1-ium-4-ylmethyl)pyridine-3-carboxamide

C13H19N4O2+ — CID 135499012

IUPAC6-(hydroxyiminomethyl)-N-(piperidin-1-ium-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CC[NH2+]CC1)c1ccc(C=NO)nc1
InChIInChI=1S/C13H18N4O2/c18-13(16-7-10-3-5-14-6-4-10)11-1-2-12(9-17-19)15-8-11/h1-2,8-10,14,19H,3-7H2,(H,16,18)/p+1
InChIKeyBYIPXWQSMYWXMX-UHFFFAOYSA-O
MW263.32 g/mol
LogP-0.41
Rot. Bonds4

About 6-(hydroxyiminomethyl)-N-(piperidin-1-ium-4-ylmethyl)pyridine-3-carboxamide

6-(hydroxyiminomethyl)-N-(piperidin-1-ium-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 135499012) has the molecular formula C13H19N4O2+ and a molecular weight of 263.32 g/mol. Its IUPAC name is 6-(hydroxyiminomethyl)-N-(piperidin-1-ium-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(hydroxyiminomethyl)-N-(piperidin-1-ium-4-ylmethyl)pyridine-3-carboxamide
PubChem CID135499012
Molecular FormulaC13H19N4O2+
Molecular Weight263.32 g/mol
Exact Mass263.15
IUPAC Name6-(hydroxyiminomethyl)-N-(piperidin-1-ium-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CC[NH2+]CC1)c1ccc(C=NO)nc1
InChIInChI=1S/C13H18N4O2/c18-13(16-7-10-3-5-14-6-4-10)11-1-2-12(9-17-19)15-8-11/h1-2,8-10,14,19H,3-7H2,(H,16,18)/p+1
InChIKeyBYIPXWQSMYWXMX-UHFFFAOYSA-O
XLogP-0.41
TPSA91.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
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-(hydroxyiminomethyl)-N-propylpyridine-3-carboxamide
CID 135500225
6-[(E)-hydroxyiminomethyl]-N-[2-(pyridine-4-carbonylamino)ethyl]pyridine-3-carboxamide
CID 135644447
N-(4-aminobutyl)-6-(hydroxyiminomethyl)pyridine-3-carboxamide
CID 135503305
N-[2-(2-hydroxyethylamino)ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide
CID 136801858
5-(cyclobutylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43427412
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-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 47298591
N-(cyclopentylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005094
N-(cyclopropylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152532
N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 25182094

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxyiminomethyl)-N-(piperidin-1-ium-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(hydroxyiminomethyl)-N-(piperidin-1-ium-4-ylmethyl)pyridine-3-carboxamide (CID 135499012) is 6-(hydroxyiminomethyl)-N-(piperidin-1-ium-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(hydroxyiminomethyl)-N-(piperidin-1-ium-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(hydroxyiminomethyl)-N-(piperidin-1-ium-4-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CC[NH2+]CC1)c1ccc(C=NO)nc1.
What is the InChIKey of 6-(hydroxyiminomethyl)-N-(piperidin-1-ium-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is BYIPXWQSMYWXMX-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18N4O2/c18-13(16-7-10-3-5-14-6-4-10)11-1-2-12(9-17-19)15-8-11/h1-2,8-10,14,19H,3-7H2,(H,16,18)/p+1.
What are the key properties of 6-(hydroxyiminomethyl)-N-(piperidin-1-ium-4-ylmethyl)pyridine-3-carboxamide?
6-(hydroxyiminomethyl)-N-(piperidin-1-ium-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 263.32 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxyiminomethyl)-N-(piperidin-1-ium-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 135499012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).