N-(2-aminoethyl)-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide

C9H12N4O2 — CID 135495466

IUPACN-(2-aminoethyl)-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide
SMILESNCCNC(=O)c1ccc(/C=N/O)nc1
InChIInChI=1S/C9H12N4O2/c10-3-4-11-9(14)7-1-2-8(6-13-15)12-5-7/h1-2,5-6,15H,3-4,10H2,(H,11,14)/b13-6+
InChIKeyRRUSXBOQIJNRSY-AWNIVKPZSA-N
MW208.22 g/mol
LogP-0.42
Rot. Bonds4

About N-(2-aminoethyl)-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide

N-(2-aminoethyl)-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide (PubChem CID 135495466) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-(2-aminoethyl)-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide
PubChem CID135495466
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC NameN-(2-aminoethyl)-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide
SMILESNCCNC(=O)c1ccc(/C=N/O)nc1
InChIInChI=1S/C9H12N4O2/c10-3-4-11-9(14)7-1-2-8(6-13-15)12-5-7/h1-2,5-6,15H,3-4,10H2,(H,11,14)/b13-6+
InChIKeyRRUSXBOQIJNRSY-AWNIVKPZSA-N
XLogP-0.42
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
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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Related Compounds

N-(4-aminobutyl)-6-(hydroxyiminomethyl)pyridine-3-carboxamide
CID 135503305
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-[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
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780
N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide
CID 63978211
1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide
CID 23569595
benzyl-dimethyl-[2-[[6-[(E)-oxidoiminomethyl]pyridine-3-carbonyl]amino]ethyl]azanium
CID 131666000

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide (CID 135495466) is N-(2-aminoethyl)-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide is NCCNC(=O)c1ccc(/C=N/O)nc1.
What is the InChIKey of N-(2-aminoethyl)-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide?
The InChIKey is RRUSXBOQIJNRSY-AWNIVKPZSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-3-4-11-9(14)7-1-2-8(6-13-15)12-5-7/h1-2,5-6,15H,3-4,10H2,(H,11,14)/b13-6+.
What are the key properties of N-(2-aminoethyl)-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide?
N-(2-aminoethyl)-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide has a molecular weight of 208.22 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide is sourced from PubChem (CID 135495466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).