(NZ)-N-[[6-methyl-2-(4-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine

C18H21N3O3 — CID 56676187

IUPAC(NZ)-N-[[6-methyl-2-(4-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine
SMILESCc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCOCC2)cc1
InChIInChI=1S/C18H21N3O3/c1-13-3-6-15(7-4-13)24-18-16(8-5-14(2)19-18)17(20-22)21-9-11-23-12-10-21/h3-8,22H,9-12H2,1-2H3/b20-17-
InChIKeyIDFAEPKFCCMSQE-JZJYNLBNSA-N
MW327.38 g/mol
LogP2.96
Rot. Bonds3

About (NZ)-N-[[6-methyl-2-(4-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine

(NZ)-N-[[6-methyl-2-(4-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine (PubChem CID 56676187) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (NZ)-N-[[6-methyl-2-(4-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[6-methyl-2-(4-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine
PubChem CID56676187
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(NZ)-N-[[6-methyl-2-(4-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine
SMILESCc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCOCC2)cc1
InChIInChI=1S/C18H21N3O3/c1-13-3-6-15(7-4-13)24-18-16(8-5-14(2)19-18)17(20-22)21-9-11-23-12-10-21/h3-8,22H,9-12H2,1-2H3/b20-17-
InChIKeyIDFAEPKFCCMSQE-JZJYNLBNSA-N
XLogP2.96
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(NZ)-N-[(6-methyl-2-naphthalen-2-yloxy-3-pyridinyl)-morpholin-4-ylmethylidene]hydroxylamine
CID 56672812
(NZ)-N-[[6-methyl-2-(3-methyl-4-methylsulfanylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methylidene]hydroxylamine
CID 56665434
(NZ)-N-[(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-[6-methyl-2-(4-methylsulfanylphenoxy)-3-pyridinyl]methylidene]hydroxylamine
CID 56678920
N'-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56675946
(NZ)-N-[2,5-dihydropyrrol-1-yl-(6-methyl-2-phenylmethoxy-3-pyridinyl)methylidene]hydroxylamine
CID 56683862
N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-phenylpyridine-3-carboximidamide
CID 56682573
(NZ)-N-[[2-(2-methoxy-4-methylphenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine
CID 56665534
N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide
CID 56676193
(NZ)-N-[[2-[(3-fluorophenyl)methoxy]-6-methyl-3-pyridinyl]-(4-methylpiperidin-1-yl)methylidene]hydroxylamine
CID 56679498
2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboxamide
CID 79868967
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-(4-chloro-3-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916421

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[6-methyl-2-(4-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[6-methyl-2-(4-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine (CID 56676187) is (NZ)-N-[[6-methyl-2-(4-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[6-methyl-2-(4-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[6-methyl-2-(4-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine is Cc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCOCC2)cc1.
What is the InChIKey of (NZ)-N-[[6-methyl-2-(4-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine?
The InChIKey is IDFAEPKFCCMSQE-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-3-6-15(7-4-13)24-18-16(8-5-14(2)19-18)17(20-22)21-9-11-23-12-10-21/h3-8,22H,9-12H2,1-2H3/b20-17-.
What are the key properties of (NZ)-N-[[6-methyl-2-(4-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine?
(NZ)-N-[[6-methyl-2-(4-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine has a molecular weight of 327.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[6-methyl-2-(4-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine is sourced from PubChem (CID 56676187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).