(NE)-N-[(4-methyl-6-morpholin-4-yl-3-pyridinyl)methylidene]hydroxylamine

C11H15N3O2 — CID 102545545

IUPAC(NE)-N-[(4-methyl-6-morpholin-4-yl-3-pyridinyl)methylidene]hydroxylamine
SMILESCc1cc(N2CCOCC2)ncc1/C=N/O
InChIInChI=1S/C11H15N3O2/c1-9-6-11(12-7-10(9)8-13-15)14-2-4-16-5-3-14/h6-8,15H,2-5H2,1H3/b13-8+
InChIKeyMPFZZKPUCRIDAL-MDWZMJQESA-N
MW221.26 g/mol
LogP1.03
Rot. Bonds2

About (NE)-N-[(4-methyl-6-morpholin-4-yl-3-pyridinyl)methylidene]hydroxylamine

(NE)-N-[(4-methyl-6-morpholin-4-yl-3-pyridinyl)methylidene]hydroxylamine (PubChem CID 102545545) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (NE)-N-[(4-methyl-6-morpholin-4-yl-3-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4-methyl-6-morpholin-4-yl-3-pyridinyl)methylidene]hydroxylamine
PubChem CID102545545
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(NE)-N-[(4-methyl-6-morpholin-4-yl-3-pyridinyl)methylidene]hydroxylamine
SMILESCc1cc(N2CCOCC2)ncc1/C=N/O
InChIInChI=1S/C11H15N3O2/c1-9-6-11(12-7-10(9)8-13-15)14-2-4-16-5-3-14/h6-8,15H,2-5H2,1H3/b13-8+
InChIKeyMPFZZKPUCRIDAL-MDWZMJQESA-N
XLogP1.03
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.03
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

(NZ)-N-[(4-methyl-6-morpholin-4-yl-3-pyridinyl)methylidene]hydroxylamine
CID 124501972
(NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine
CID 124501946
(1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol
CID 124501974
4-(4-chloro-5-methyl-2-pyridinyl)morpholine
CID 142202781
4-methyl-6-pyrrolidin-1-ylpyridine-3-carbaldehyde
CID 102545487
1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine
CID 102545557
(1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine
CID 124501981
4-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)morpholine
CID 138739515
4-[4-methyl-5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]morpholine
CID 102543259
1-(7-methyl-3-morpholin-4-ylisoquinolin-5-yl)ethanone
CID 171520543
4-(1-methylpyrido[3,4-d]pyridazin-7-yl)morpholine
CID 175916253
6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112857101

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4-methyl-6-morpholin-4-yl-3-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4-methyl-6-morpholin-4-yl-3-pyridinyl)methylidene]hydroxylamine (CID 102545545) is (NE)-N-[(4-methyl-6-morpholin-4-yl-3-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4-methyl-6-morpholin-4-yl-3-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4-methyl-6-morpholin-4-yl-3-pyridinyl)methylidene]hydroxylamine is Cc1cc(N2CCOCC2)ncc1/C=N/O.
What is the InChIKey of (NE)-N-[(4-methyl-6-morpholin-4-yl-3-pyridinyl)methylidene]hydroxylamine?
The InChIKey is MPFZZKPUCRIDAL-MDWZMJQESA-N. The full InChI is InChI=1S/C11H15N3O2/c1-9-6-11(12-7-10(9)8-13-15)14-2-4-16-5-3-14/h6-8,15H,2-5H2,1H3/b13-8+.
What are the key properties of (NE)-N-[(4-methyl-6-morpholin-4-yl-3-pyridinyl)methylidene]hydroxylamine?
(NE)-N-[(4-methyl-6-morpholin-4-yl-3-pyridinyl)methylidene]hydroxylamine has a molecular weight of 221.26 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-methyl-6-morpholin-4-yl-3-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 102545545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).