4-(3-hydrazinyl-5-nitrophenyl)-N-methylmorpholine-3-carboxamide

C12H17N5O4 — CID 83104244

IUPAC4-(3-hydrazinyl-5-nitrophenyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H17N5O4/c1-14-12(18)11-7-21-3-2-16(11)9-4-8(15-13)5-10(6-9)17(19)20/h4-6,11,15H,2-3,7,13H2,1H3,(H,14,18)
InChIKeyVMUZYHVQZZZGDF-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.17
Rot. Bonds4

About 4-(3-hydrazinyl-5-nitrophenyl)-N-methylmorpholine-3-carboxamide

4-(3-hydrazinyl-5-nitrophenyl)-N-methylmorpholine-3-carboxamide (PubChem CID 83104244) has the molecular formula C12H17N5O4 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-(3-hydrazinyl-5-nitrophenyl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-hydrazinyl-5-nitrophenyl)-N-methylmorpholine-3-carboxamide
PubChem CID83104244
Molecular FormulaC12H17N5O4
Molecular Weight295.30 g/mol
Exact Mass295.13
IUPAC Name4-(3-hydrazinyl-5-nitrophenyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H17N5O4/c1-14-12(18)11-7-21-3-2-16(11)9-4-8(15-13)5-10(6-9)17(19)20/h4-6,11,15H,2-3,7,13H2,1H3,(H,14,18)
InChIKeyVMUZYHVQZZZGDF-UHFFFAOYSA-N
XLogP-0.17
TPSA122.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(ethylamino)-5-nitrophenyl]morpholine-3-carboxamide
CID 83099245
N-methyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide
CID 104535677
4-(6-amino-5-nitro-2-pyridinyl)-N-methylmorpholine-3-carboxamide
CID 83105439
[1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-2-yl]methanol
CID 80898618
1-(3-hydrazinyl-5-nitrophenyl)pyrrolidine-3,4-diol
CID 106674650
4-(6-amino-3-pyridinyl)-N-methylmorpholine-3-carboxamide
CID 83106485
N-methyl-4-[5-(propylamino)-3-pyridinyl]morpholine-3-carboxamide
CID 104535676
1-(3-hydrazinyl-5-nitrophenyl)piperidin-4-ol
CID 80931571
4-(2-amino-5-bromophenyl)-N-methylmorpholine-3-carboxamide
CID 83107043
[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5-nitrophenyl]hydrazine
CID 102887930
4-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide
CID 83104519
methyl 4-(3-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxylate
CID 104775304

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydrazinyl-5-nitrophenyl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-hydrazinyl-5-nitrophenyl)-N-methylmorpholine-3-carboxamide (CID 83104244) is 4-(3-hydrazinyl-5-nitrophenyl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-hydrazinyl-5-nitrophenyl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-hydrazinyl-5-nitrophenyl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1c1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of 4-(3-hydrazinyl-5-nitrophenyl)-N-methylmorpholine-3-carboxamide?
The InChIKey is VMUZYHVQZZZGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O4/c1-14-12(18)11-7-21-3-2-16(11)9-4-8(15-13)5-10(6-9)17(19)20/h4-6,11,15H,2-3,7,13H2,1H3,(H,14,18).
What are the key properties of 4-(3-hydrazinyl-5-nitrophenyl)-N-methylmorpholine-3-carboxamide?
4-(3-hydrazinyl-5-nitrophenyl)-N-methylmorpholine-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydrazinyl-5-nitrophenyl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83104244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).