N-(4-aminobutyl)-6-(hydroxyiminomethyl)pyridine-3-carboxamide

C11H16N4O2 — CID 135503305

IUPACN-(4-aminobutyl)-6-(hydroxyiminomethyl)pyridine-3-carboxamide
SMILESNCCCCNC(=O)c1ccc(C=NO)nc1
InChIInChI=1S/C11H16N4O2/c12-5-1-2-6-13-11(16)9-3-4-10(8-15-17)14-7-9/h3-4,7-8,17H,1-2,5-6,12H2,(H,13,16)
InChIKeyYQTHLMITLQODPU-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.36
Rot. Bonds6

About N-(4-aminobutyl)-6-(hydroxyiminomethyl)pyridine-3-carboxamide

N-(4-aminobutyl)-6-(hydroxyiminomethyl)pyridine-3-carboxamide (PubChem CID 135503305) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-(4-aminobutyl)-6-(hydroxyiminomethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-6-(hydroxyiminomethyl)pyridine-3-carboxamide
PubChem CID135503305
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC NameN-(4-aminobutyl)-6-(hydroxyiminomethyl)pyridine-3-carboxamide
SMILESNCCCCNC(=O)c1ccc(C=NO)nc1
InChIInChI=1S/C11H16N4O2/c12-5-1-2-6-13-11(16)9-3-4-10(8-15-17)14-7-9/h3-4,7-8,17H,1-2,5-6,12H2,(H,13,16)
InChIKeyYQTHLMITLQODPU-UHFFFAOYSA-N
XLogP0.36
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-aminobutyl)-6-(hydroxyiminomethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[2-(2-hydroxyethylamino)ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide
CID 136801858
N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide
CID 63978211
N-[2-[benzyl(methyl)amino]ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide
CID 135873461
N-[2-[benzyl(methyl)amino]ethyl]-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide
CID 135513618
6-(hydroxyiminomethyl)-N-(piperidin-1-ium-4-ylmethyl)pyridine-3-carboxamide
CID 135499012
N-(5-aminopentyl)-4-hydroxybenzamide
CID 11459592
6-amino-N-(5-amino-5-oxopentyl)pyridine-3-carboxamide
CID 114162800
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
N-(6-aminohexyl)-1H-pyrazole-4-carboxamide
CID 107843778

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-6-(hydroxyiminomethyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-aminobutyl)-6-(hydroxyiminomethyl)pyridine-3-carboxamide (CID 135503305) is N-(4-aminobutyl)-6-(hydroxyiminomethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-aminobutyl)-6-(hydroxyiminomethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-aminobutyl)-6-(hydroxyiminomethyl)pyridine-3-carboxamide is NCCCCNC(=O)c1ccc(C=NO)nc1.
What is the InChIKey of N-(4-aminobutyl)-6-(hydroxyiminomethyl)pyridine-3-carboxamide?
The InChIKey is YQTHLMITLQODPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-5-1-2-6-13-11(16)9-3-4-10(8-15-17)14-7-9/h3-4,7-8,17H,1-2,5-6,12H2,(H,13,16).
What are the key properties of N-(4-aminobutyl)-6-(hydroxyiminomethyl)pyridine-3-carboxamide?
N-(4-aminobutyl)-6-(hydroxyiminomethyl)pyridine-3-carboxamide has a molecular weight of 236.28 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-6-(hydroxyiminomethyl)pyridine-3-carboxamide is sourced from PubChem (CID 135503305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).