(NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine

C18H20FN3O2 — CID 56668610

IUPAC(NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine
SMILESCC1CCCN1/C(=N\O)c1cccnc1OCc1ccccc1F
InChIInChI=1S/C18H20FN3O2/c1-13-6-5-11-22(13)17(21-23)15-8-4-10-20-18(15)24-12-14-7-2-3-9-16(14)19/h2-4,7-10,13,23H,5-6,11-12H2,1H3/b21-17-
InChIKeyGNPNNWXRFKVWDX-FXBPSFAMSA-N
MW329.38 g/mol
LogP3.42
Rot. Bonds4

About (NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine

(NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine (PubChem CID 56668610) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is (NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine
PubChem CID56668610
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name(NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine
SMILESCC1CCCN1/C(=N\O)c1cccnc1OCc1ccccc1F
InChIInChI=1S/C18H20FN3O2/c1-13-6-5-11-22(13)17(21-23)15-8-4-10-20-18(15)24-12-14-7-2-3-9-16(14)19/h2-4,7-10,13,23H,5-6,11-12H2,1H3/b21-17-
InChIKeyGNPNNWXRFKVWDX-FXBPSFAMSA-N
XLogP3.42
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2-fluorophenyl)methoxy]-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine (CID 56668610) is (NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine is CC1CCCN1/C(=N\O)c1cccnc1OCc1ccccc1F.
What is the InChIKey of (NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine?
The InChIKey is GNPNNWXRFKVWDX-FXBPSFAMSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-13-6-5-11-22(13)17(21-23)15-8-4-10-20-18(15)24-12-14-7-2-3-9-16(14)19/h2-4,7-10,13,23H,5-6,11-12H2,1H3/b21-17-.
What are the key properties of (NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine?
(NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine has a molecular weight of 329.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 56668610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).