N-[6-[2-(methylamino)ethylamino]-3-pyridinyl]-N-oxidohydroxylamine

C8H13N4O2- — CID 163883943

IUPACN-[6-[2-(methylamino)ethylamino]-3-pyridinyl]-N-oxidohydroxylamine
SMILESCNCCNc1ccc(N([O-])O)cn1
InChIInChI=1S/C8H13N4O2/c1-9-4-5-10-8-3-2-7(6-11-8)12(13)14/h2-3,6,9,13H,4-5H2,1H3,(H,10,11)/q-1
InChIKeyJWLSZVQHCOKDTN-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.41
Rot. Bonds5

About N-[6-[2-(methylamino)ethylamino]-3-pyridinyl]-N-oxidohydroxylamine

N-[6-[2-(methylamino)ethylamino]-3-pyridinyl]-N-oxidohydroxylamine (PubChem CID 163883943) has the molecular formula C8H13N4O2- and a molecular weight of 197.22 g/mol. Its IUPAC name is N-[6-[2-(methylamino)ethylamino]-3-pyridinyl]-N-oxidohydroxylamine.

Molecular Properties

Compound NameN-[6-[2-(methylamino)ethylamino]-3-pyridinyl]-N-oxidohydroxylamine
PubChem CID163883943
Molecular FormulaC8H13N4O2-
Molecular Weight197.22 g/mol
Exact Mass197.10
IUPAC NameN-[6-[2-(methylamino)ethylamino]-3-pyridinyl]-N-oxidohydroxylamine
SMILESCNCCNc1ccc(N([O-])O)cn1
InChIInChI=1S/C8H13N4O2/c1-9-4-5-10-8-3-2-7(6-11-8)12(13)14/h2-3,6,9,13H,4-5H2,1H3,(H,10,11)/q-1
InChIKeyJWLSZVQHCOKDTN-UHFFFAOYSA-N
XLogP0.41
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(methylamino)ethylamino]-3-pyridinyl]-N-oxidohydroxylamine?
The IUPAC name of N-[6-[2-(methylamino)ethylamino]-3-pyridinyl]-N-oxidohydroxylamine (CID 163883943) is N-[6-[2-(methylamino)ethylamino]-3-pyridinyl]-N-oxidohydroxylamine.
What is the SMILES notation for N-[6-[2-(methylamino)ethylamino]-3-pyridinyl]-N-oxidohydroxylamine?
The canonical SMILES for N-[6-[2-(methylamino)ethylamino]-3-pyridinyl]-N-oxidohydroxylamine is CNCCNc1ccc(N([O-])O)cn1.
What is the InChIKey of N-[6-[2-(methylamino)ethylamino]-3-pyridinyl]-N-oxidohydroxylamine?
The InChIKey is JWLSZVQHCOKDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N4O2/c1-9-4-5-10-8-3-2-7(6-11-8)12(13)14/h2-3,6,9,13H,4-5H2,1H3,(H,10,11)/q-1.
What are the key properties of N-[6-[2-(methylamino)ethylamino]-3-pyridinyl]-N-oxidohydroxylamine?
N-[6-[2-(methylamino)ethylamino]-3-pyridinyl]-N-oxidohydroxylamine has a molecular weight of 197.22 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(methylamino)ethylamino]-3-pyridinyl]-N-oxidohydroxylamine is sourced from PubChem (CID 163883943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).