N-[2-(2-hydroxyethylamino)ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide

C11H16N4O3 — CID 136801858

IUPACN-[2-(2-hydroxyethylamino)ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide
SMILESO=C(NCCNCCO)c1ccc(/C=N\O)nc1
InChIInChI=1S/C11H16N4O3/c16-6-5-12-3-4-13-11(17)9-1-2-10(8-15-18)14-7-9/h1-2,7-8,12,16,18H,3-6H2,(H,13,17)/b15-8-
InChIKeyIHWJAJROHQDHOV-NVNXTCNLSA-N
MW252.27 g/mol
LogP-0.80
Rot. Bonds7

About N-[2-(2-hydroxyethylamino)ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide

N-[2-(2-hydroxyethylamino)ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide (PubChem CID 136801858) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[2-(2-hydroxyethylamino)ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethylamino)ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide
PubChem CID136801858
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-[2-(2-hydroxyethylamino)ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide
SMILESO=C(NCCNCCO)c1ccc(/C=N\O)nc1
InChIInChI=1S/C11H16N4O3/c16-6-5-12-3-4-13-11(17)9-1-2-10(8-15-18)14-7-9/h1-2,7-8,12,16,18H,3-6H2,(H,13,17)/b15-8-
InChIKeyIHWJAJROHQDHOV-NVNXTCNLSA-N
XLogP-0.80
TPSA106.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

6-[(E)-hydroxyiminomethyl]-N-[2-(pyridine-4-carbonylamino)ethyl]pyridine-3-carboxamide
CID 135644447
N-(2-aminoethyl)-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide
CID 135495466
6-(hydroxyiminomethyl)-N-propylpyridine-3-carboxamide
CID 135500225
N-(4-aminobutyl)-6-(hydroxyiminomethyl)pyridine-3-carboxamide
CID 135503305
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
4-chloro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
CID 3082615
benzyl-dimethyl-[2-[[6-[(E)-oxidoiminomethyl]pyridine-3-carbonyl]amino]ethyl]azanium
CID 131666000
N-(3-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 43417610
6-(diethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 110907815
N-(2-hydroxyethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 43416525

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethylamino)ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethylamino)ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide (CID 136801858) is N-[2-(2-hydroxyethylamino)ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethylamino)ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethylamino)ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide is O=C(NCCNCCO)c1ccc(/C=N\O)nc1.
What is the InChIKey of N-[2-(2-hydroxyethylamino)ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide?
The InChIKey is IHWJAJROHQDHOV-NVNXTCNLSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-6-5-12-3-4-13-11(17)9-1-2-10(8-15-18)14-7-9/h1-2,7-8,12,16,18H,3-6H2,(H,13,17)/b15-8-.
What are the key properties of N-[2-(2-hydroxyethylamino)ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide?
N-[2-(2-hydroxyethylamino)ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -0.80, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethylamino)ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide is sourced from PubChem (CID 136801858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).