(NZ)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-yl-1,4-diazepan-1-yl)butylidene]hydroxylamine

C20H25FN4O — CID 155561279

IUPAC(NZ)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-yl-1,4-diazepan-1-yl)butylidene]hydroxylamine
SMILESO/N=C(/CCCN1CCCN(c2ccccn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H25FN4O/c21-18-9-7-17(8-10-18)19(23-26)5-3-12-24-13-4-14-25(16-15-24)20-6-1-2-11-22-20/h1-2,6-11,26H,3-5,12-16H2/b23-19-
InChIKeyDXUQNBORIUMGPM-NMWGTECJSA-N
MW356.44 g/mol
LogP3.39
Rot. Bonds6

About (NZ)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-yl-1,4-diazepan-1-yl)butylidene]hydroxylamine

(NZ)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-yl-1,4-diazepan-1-yl)butylidene]hydroxylamine (PubChem CID 155561279) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is (NZ)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-yl-1,4-diazepan-1-yl)butylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-yl-1,4-diazepan-1-yl)butylidene]hydroxylamine
PubChem CID155561279
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name(NZ)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-yl-1,4-diazepan-1-yl)butylidene]hydroxylamine
SMILESO/N=C(/CCCN1CCCN(c2ccccn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H25FN4O/c21-18-9-7-17(8-10-18)19(23-26)5-3-12-24-13-4-14-25(16-15-24)20-6-1-2-11-22-20/h1-2,6-11,26H,3-5,12-16H2/b23-19-
InChIKeyDXUQNBORIUMGPM-NMWGTECJSA-N
XLogP3.39
TPSA51.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

(NE)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butylidene]hydroxylamine
CID 11849818
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
N'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide
CID 24690721
1-(2-ethoxyethyl)-4-pyridin-2-yl-1,4-diazepane
CID 75506679
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
N-[1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propylidene]hydroxylamine
CID 73125691
N-methoxy-1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
CID 72966378
(E)-1-(3,4-dimethylphenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
CID 11221906
(Z)-1-(3,4-dimethylphenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
CID 11416883
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
1-(1H-imidazol-2-ylmethyl)-4-pyridin-2-yl-1,4-diazepane
CID 95811332
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-yl-1,4-diazepan-1-yl)butylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-yl-1,4-diazepan-1-yl)butylidene]hydroxylamine (CID 155561279) is (NZ)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-yl-1,4-diazepan-1-yl)butylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-yl-1,4-diazepan-1-yl)butylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-yl-1,4-diazepan-1-yl)butylidene]hydroxylamine is O/N=C(/CCCN1CCCN(c2ccccn2)CC1)c1ccc(F)cc1.
What is the InChIKey of (NZ)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-yl-1,4-diazepan-1-yl)butylidene]hydroxylamine?
The InChIKey is DXUQNBORIUMGPM-NMWGTECJSA-N. The full InChI is InChI=1S/C20H25FN4O/c21-18-9-7-17(8-10-18)19(23-26)5-3-12-24-13-4-14-25(16-15-24)20-6-1-2-11-22-20/h1-2,6-11,26H,3-5,12-16H2/b23-19-.
What are the key properties of (NZ)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-yl-1,4-diazepan-1-yl)butylidene]hydroxylamine?
(NZ)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-yl-1,4-diazepan-1-yl)butylidene]hydroxylamine has a molecular weight of 356.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-yl-1,4-diazepan-1-yl)butylidene]hydroxylamine is sourced from PubChem (CID 155561279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).