(NZ)-N-[(4-methylimidazol-1-yl)-(6-naphthalen-2-yloxy-3-pyridinyl)methylidene]hydroxylamine

C20H16N4O2 — CID 56682462

IUPAC(NZ)-N-[(4-methylimidazol-1-yl)-(6-naphthalen-2-yloxy-3-pyridinyl)methylidene]hydroxylamine
SMILESCc1cn(/C(=N\O)c2ccc(Oc3ccc4ccccc4c3)nc2)cn1
InChIInChI=1S/C20H16N4O2/c1-14-12-24(13-22-14)20(23-25)17-7-9-19(21-11-17)26-18-8-6-15-4-2-3-5-16(15)10-18/h2-13,25H,1H3/b23-20-
InChIKeyHKLUTSYAVZZFHH-ATJXCDBQSA-N
MW344.37 g/mol
LogP4.22
Rot. Bonds3

About (NZ)-N-[(4-methylimidazol-1-yl)-(6-naphthalen-2-yloxy-3-pyridinyl)methylidene]hydroxylamine

(NZ)-N-[(4-methylimidazol-1-yl)-(6-naphthalen-2-yloxy-3-pyridinyl)methylidene]hydroxylamine (PubChem CID 56682462) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is (NZ)-N-[(4-methylimidazol-1-yl)-(6-naphthalen-2-yloxy-3-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(4-methylimidazol-1-yl)-(6-naphthalen-2-yloxy-3-pyridinyl)methylidene]hydroxylamine
PubChem CID56682462
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name(NZ)-N-[(4-methylimidazol-1-yl)-(6-naphthalen-2-yloxy-3-pyridinyl)methylidene]hydroxylamine
SMILESCc1cn(/C(=N\O)c2ccc(Oc3ccc4ccccc4c3)nc2)cn1
InChIInChI=1S/C20H16N4O2/c1-14-12-24(13-22-14)20(23-25)17-7-9-19(21-11-17)26-18-8-6-15-4-2-3-5-16(15)10-18/h2-13,25H,1H3/b23-20-
InChIKeyHKLUTSYAVZZFHH-ATJXCDBQSA-N
XLogP4.22
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.22
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-[(4-methylimidazol-1-yl)-(6-naphthalen-2-yloxy-3-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(4-methylimidazol-1-yl)-(6-naphthalen-2-yloxy-3-pyridinyl)methylidene]hydroxylamine (CID 56682462) is (NZ)-N-[(4-methylimidazol-1-yl)-(6-naphthalen-2-yloxy-3-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(4-methylimidazol-1-yl)-(6-naphthalen-2-yloxy-3-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(4-methylimidazol-1-yl)-(6-naphthalen-2-yloxy-3-pyridinyl)methylidene]hydroxylamine is Cc1cn(/C(=N\O)c2ccc(Oc3ccc4ccccc4c3)nc2)cn1.
What is the InChIKey of (NZ)-N-[(4-methylimidazol-1-yl)-(6-naphthalen-2-yloxy-3-pyridinyl)methylidene]hydroxylamine?
The InChIKey is HKLUTSYAVZZFHH-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-14-12-24(13-22-14)20(23-25)17-7-9-19(21-11-17)26-18-8-6-15-4-2-3-5-16(15)10-18/h2-13,25H,1H3/b23-20-.
What are the key properties of (NZ)-N-[(4-methylimidazol-1-yl)-(6-naphthalen-2-yloxy-3-pyridinyl)methylidene]hydroxylamine?
(NZ)-N-[(4-methylimidazol-1-yl)-(6-naphthalen-2-yloxy-3-pyridinyl)methylidene]hydroxylamine has a molecular weight of 344.37 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4-methylimidazol-1-yl)-(6-naphthalen-2-yloxy-3-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 56682462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).