(NZ)-N-[(2-methylimidazol-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine

C14H18N4O2 — CID 56675462

IUPAC(NZ)-N-[(2-methylimidazol-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine
SMILESCc1nccn1/C(=N\O)c1cccnc1OCC(C)C
InChIInChI=1S/C14H18N4O2/c1-10(2)9-20-14-12(5-4-6-16-14)13(17-19)18-8-7-15-11(18)3/h4-8,10,19H,9H2,1-3H3/b17-13-
InChIKeyUWIKHKRFBLHNQI-LGMDPLHJSA-N
MW274.32 g/mol
LogP2.31
Rot. Bonds4

About (NZ)-N-[(2-methylimidazol-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine

(NZ)-N-[(2-methylimidazol-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine (PubChem CID 56675462) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (NZ)-N-[(2-methylimidazol-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2-methylimidazol-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine
PubChem CID56675462
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(NZ)-N-[(2-methylimidazol-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine
SMILESCc1nccn1/C(=N\O)c1cccnc1OCC(C)C
InChIInChI=1S/C14H18N4O2/c1-10(2)9-20-14-12(5-4-6-16-14)13(17-19)18-8-7-15-11(18)3/h4-8,10,19H,9H2,1-3H3/b17-13-
InChIKeyUWIKHKRFBLHNQI-LGMDPLHJSA-N
XLogP2.31
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (NZ)-N-[(2-methylimidazol-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2-methylimidazol-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine (CID 56675462) is (NZ)-N-[(2-methylimidazol-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2-methylimidazol-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2-methylimidazol-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine is Cc1nccn1/C(=N\O)c1cccnc1OCC(C)C.
What is the InChIKey of (NZ)-N-[(2-methylimidazol-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine?
The InChIKey is UWIKHKRFBLHNQI-LGMDPLHJSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10(2)9-20-14-12(5-4-6-16-14)13(17-19)18-8-7-15-11(18)3/h4-8,10,19H,9H2,1-3H3/b17-13-.
What are the key properties of (NZ)-N-[(2-methylimidazol-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine?
(NZ)-N-[(2-methylimidazol-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine has a molecular weight of 274.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2-methylimidazol-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 56675462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).