(NZ)-N-[1,3-dihydroisoindol-2-yl-[2-(4-fluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine

C20H16FN3O2 — CID 56672672

IUPAC(NZ)-N-[1,3-dihydroisoindol-2-yl-[2-(4-fluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine
SMILESO/N=C(/c1cccnc1Oc1ccc(F)cc1)N1Cc2ccccc2C1
InChIInChI=1S/C20H16FN3O2/c21-16-7-9-17(10-8-16)26-20-18(6-3-11-22-20)19(23-25)24-12-14-4-1-2-5-15(14)13-24/h1-11,25H,12-13H2/b23-19-
InChIKeyLZJMOQFAPXJBAT-NMWGTECJSA-N
MW349.37 g/mol
LogP4.16
Rot. Bonds3

About (NZ)-N-[1,3-dihydroisoindol-2-yl-[2-(4-fluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine

(NZ)-N-[1,3-dihydroisoindol-2-yl-[2-(4-fluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine (PubChem CID 56672672) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is (NZ)-N-[1,3-dihydroisoindol-2-yl-[2-(4-fluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1,3-dihydroisoindol-2-yl-[2-(4-fluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine
PubChem CID56672672
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name(NZ)-N-[1,3-dihydroisoindol-2-yl-[2-(4-fluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine
SMILESO/N=C(/c1cccnc1Oc1ccc(F)cc1)N1Cc2ccccc2C1
InChIInChI=1S/C20H16FN3O2/c21-16-7-9-17(10-8-16)26-20-18(6-3-11-22-20)19(23-25)24-12-14-4-1-2-5-15(14)13-24/h1-11,25H,12-13H2/b23-19-
InChIKeyLZJMOQFAPXJBAT-NMWGTECJSA-N
XLogP4.16
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.16
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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Related Compounds

2-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 605123
2-(4-fluorophenoxy)pyridin-3-ol
CID 59089126
(NZ)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine
CID 56669742
3-[2-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxyprop-2-enoic acid
CID 70069253
(NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[2-[4-(1,2,4-triazol-1-yl)phenoxy]-3-pyridinyl]methylidene]hydroxylamine
CID 56658069
1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenoxyethanone
CID 22612434
(NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]hydroxylamine
CID 56665903
N'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide
CID 76870993
(4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 21019677
N-(cyclohexen-1-ylmethyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 141060333
4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 22058409
[(1R)-1-(4-fluorophenyl)ethyl] 2-phenoxypyridine-3-carboxylate
CID 30925633

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1,3-dihydroisoindol-2-yl-[2-(4-fluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1,3-dihydroisoindol-2-yl-[2-(4-fluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine (CID 56672672) is (NZ)-N-[1,3-dihydroisoindol-2-yl-[2-(4-fluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1,3-dihydroisoindol-2-yl-[2-(4-fluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1,3-dihydroisoindol-2-yl-[2-(4-fluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine is O/N=C(/c1cccnc1Oc1ccc(F)cc1)N1Cc2ccccc2C1.
What is the InChIKey of (NZ)-N-[1,3-dihydroisoindol-2-yl-[2-(4-fluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine?
The InChIKey is LZJMOQFAPXJBAT-NMWGTECJSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-16-7-9-17(10-8-16)26-20-18(6-3-11-22-20)19(23-25)24-12-14-4-1-2-5-15(14)13-24/h1-11,25H,12-13H2/b23-19-.
What are the key properties of (NZ)-N-[1,3-dihydroisoindol-2-yl-[2-(4-fluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine?
(NZ)-N-[1,3-dihydroisoindol-2-yl-[2-(4-fluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine has a molecular weight of 349.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1,3-dihydroisoindol-2-yl-[2-(4-fluorophenoxy)-3-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 56672672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).