(NZ)-N-[[4-[3-amino-4-(methylamino)phenoxy]-2-pyridinyl]methylidene]hydroxylamine;methane;methanol;(NZ)-N-[[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]methylidene]hydroxylamine

C28H34N8O7 — CID 172937212

IUPAC(NZ)-N-[[4-[3-amino-4-(methylamino)phenoxy]-2-pyridinyl]methylidene]hydroxylamine;methane;methanol;(NZ)-N-[[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]methylidene]hydroxylamine
SMILESC.CNc1ccc(Oc2ccnc(/C=N\O)c2)cc1N.CNc1ccc(Oc2ccnc(/C=N\O)c2)cc1[N+](=O)[O-].CO
InChIInChI=1S/C13H12N4O4.C13H14N4O2.CH4O.CH4/c1-14-12-3-2-10(7-13(12)17(19)20)21-11-4-5-15-9(6-11)8-16-18;1-15-13-3-2-10(7-12(13)14)19-11-4-5-16-9(6-11)8-17-18;1-2;/h2-8,14,18H,1H3;2-8,15,18H,14H2,1H3;2H,1H3;1H4/b16-8-;17-8-;;
InChIKeyKNDHNYINPFFOMA-XKLNVPQPSA-N
MW594.63 g/mol
LogP5.18
Rot. Bonds9

About (NZ)-N-[[4-[3-amino-4-(methylamino)phenoxy]-2-pyridinyl]methylidene]hydroxylamine;methane;methanol;(NZ)-N-[[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]methylidene]hydroxylamine

(NZ)-N-[[4-[3-amino-4-(methylamino)phenoxy]-2-pyridinyl]methylidene]hydroxylamine;methane;methanol;(NZ)-N-[[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]methylidene]hydroxylamine (PubChem CID 172937212) has the molecular formula C28H34N8O7 and a molecular weight of 594.63 g/mol. Its IUPAC name is (NZ)-N-[[4-[3-amino-4-(methylamino)phenoxy]-2-pyridinyl]methylidene]hydroxylamine;methane;methanol;(NZ)-N-[[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[4-[3-amino-4-(methylamino)phenoxy]-2-pyridinyl]methylidene]hydroxylamine;methane;methanol;(NZ)-N-[[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]methylidene]hydroxylamine
PubChem CID172937212
Molecular FormulaC28H34N8O7
Molecular Weight594.63 g/mol
Exact Mass594.26
IUPAC Name(NZ)-N-[[4-[3-amino-4-(methylamino)phenoxy]-2-pyridinyl]methylidene]hydroxylamine;methane;methanol;(NZ)-N-[[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]methylidene]hydroxylamine
SMILESC.CNc1ccc(Oc2ccnc(/C=N\O)c2)cc1N.CNc1ccc(Oc2ccnc(/C=N\O)c2)cc1[N+](=O)[O-].CO
InChIInChI=1S/C13H12N4O4.C13H14N4O2.CH4O.CH4/c1-14-12-3-2-10(7-13(12)17(19)20)21-11-4-5-15-9(6-11)8-16-18;1-15-13-3-2-10(7-12(13)14)19-11-4-5-16-9(6-11)8-17-18;1-2;/h2-8,14,18H,1H3;2-8,15,18H,14H2,1H3;2H,1H3;1H4/b16-8-;17-8-;;
InChIKeyKNDHNYINPFFOMA-XKLNVPQPSA-N
XLogP5.18
TPSA222.87 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500594.63
LogP ≤ 55.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NZ)-N-[[4-[3-amino-4-(methylamino)phenoxy]-2-pyridinyl]methylidene]hydroxylamine;methane;methanol;(NZ)-N-[[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]methylidene]hydroxylamine with MolForge

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Related Compounds

1-chloro-3-[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]propan-2-one
CID 158043851
(NZ)-N-[[4-[3-amino-4-(methylamino)phenoxy]-2-pyridinyl]methylidene]hydroxylamine;(NZ)-N-[[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]methylidene]hydroxylamine;1-bromo-4-isothiocyanatobenzene;methanol
CID 172944146
tert-butyl 4-[4-(methylamino)-3-nitrophenoxy]pyridine-2-carboxylate;methane;[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]methanol
CID 162257207
carbamoyl 4-[3-amino-4-(methylamino)phenoxy]pyridine-2-carboxylate
CID 90741979
tert-butyl 4-[4-(methylamino)-3-nitrophenoxy]pyridine-2-carboxylate;[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]methanol
CID 160916912
N-[(4-methoxy-2-pyridinyl)methylidene]hydroxylamine
CID 137214364
N-methyl-2-nitro-4-(pyridin-4-ylmethoxy)aniline
CID 66623516
4-(3-methyl-4-nitrophenoxy)pyridin-2-amine
CID 23153294
2-nitro-4-phenoxyaniline;N-(2-nitro-4-phenoxyphenyl)acetamide
CID 158109560
4-(methylamino)-3-nitrophenol
CID 22832045
[4-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]hydrazine
CID 102703909
4-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile
CID 103201670

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[4-[3-amino-4-(methylamino)phenoxy]-2-pyridinyl]methylidene]hydroxylamine;methane;methanol;(NZ)-N-[[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[4-[3-amino-4-(methylamino)phenoxy]-2-pyridinyl]methylidene]hydroxylamine;methane;methanol;(NZ)-N-[[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]methylidene]hydroxylamine (CID 172937212) is (NZ)-N-[[4-[3-amino-4-(methylamino)phenoxy]-2-pyridinyl]methylidene]hydroxylamine;methane;methanol;(NZ)-N-[[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[4-[3-amino-4-(methylamino)phenoxy]-2-pyridinyl]methylidene]hydroxylamine;methane;methanol;(NZ)-N-[[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[4-[3-amino-4-(methylamino)phenoxy]-2-pyridinyl]methylidene]hydroxylamine;methane;methanol;(NZ)-N-[[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]methylidene]hydroxylamine is C.CNc1ccc(Oc2ccnc(/C=N\O)c2)cc1N.CNc1ccc(Oc2ccnc(/C=N\O)c2)cc1[N+](=O)[O-].CO.
What is the InChIKey of (NZ)-N-[[4-[3-amino-4-(methylamino)phenoxy]-2-pyridinyl]methylidene]hydroxylamine;methane;methanol;(NZ)-N-[[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]methylidene]hydroxylamine?
The InChIKey is KNDHNYINPFFOMA-XKLNVPQPSA-N. The full InChI is InChI=1S/C13H12N4O4.C13H14N4O2.CH4O.CH4/c1-14-12-3-2-10(7-13(12)17(19)20)21-11-4-5-15-9(6-11)8-16-18;1-15-13-3-2-10(7-12(13)14)19-11-4-5-16-9(6-11)8-17-18;1-2;/h2-8,14,18H,1H3;2-8,15,18H,14H2,1H3;2H,1H3;1H4/b16-8-;17-8-;;.
What are the key properties of (NZ)-N-[[4-[3-amino-4-(methylamino)phenoxy]-2-pyridinyl]methylidene]hydroxylamine;methane;methanol;(NZ)-N-[[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]methylidene]hydroxylamine?
(NZ)-N-[[4-[3-amino-4-(methylamino)phenoxy]-2-pyridinyl]methylidene]hydroxylamine;methane;methanol;(NZ)-N-[[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]methylidene]hydroxylamine has a molecular weight of 594.63 g/mol, XLogP of 5.18, 9 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[4-[3-amino-4-(methylamino)phenoxy]-2-pyridinyl]methylidene]hydroxylamine;methane;methanol;(NZ)-N-[[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 172937212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).