4-(6-amino-5-nitro-2-pyridinyl)-N-methylmorpholine-3-carboxamide

C11H15N5O4 — CID 83105439

IUPAC4-(6-amino-5-nitro-2-pyridinyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C11H15N5O4/c1-13-11(17)8-6-20-5-4-15(8)9-3-2-7(16(18)19)10(12)14-9/h2-3,8H,4-6H2,1H3,(H2,12,14)(H,13,17)
InChIKeyDYZYSZOTKLUKBR-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.48
Rot. Bonds3

About 4-(6-amino-5-nitro-2-pyridinyl)-N-methylmorpholine-3-carboxamide

4-(6-amino-5-nitro-2-pyridinyl)-N-methylmorpholine-3-carboxamide (PubChem CID 83105439) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-(6-amino-5-nitro-2-pyridinyl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(6-amino-5-nitro-2-pyridinyl)-N-methylmorpholine-3-carboxamide
PubChem CID83105439
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name4-(6-amino-5-nitro-2-pyridinyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C11H15N5O4/c1-13-11(17)8-6-20-5-4-15(8)9-3-2-7(16(18)19)10(12)14-9/h2-3,8H,4-6H2,1H3,(H2,12,14)(H,13,17)
InChIKeyDYZYSZOTKLUKBR-UHFFFAOYSA-N
XLogP-0.48
TPSA123.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(6-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxamide
CID 133452657
4-(5-amino-6-cyano-2-pyridinyl)-N-methylmorpholine-3-carboxamide
CID 103468954
methyl 1-(6-amino-5-nitro-2-pyridinyl)piperidine-2-carboxylate
CID 115538245
1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide
CID 103198490
1-(6-amino-5-nitro-2-pyridinyl)azepane-2-carboxylic acid
CID 79828132
4-(6-amino-3-pyridinyl)-N-methylmorpholine-3-carboxamide
CID 83106485
4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide
CID 83103129
4-(3-hydrazinyl-5-nitrophenyl)-N-methylmorpholine-3-carboxamide
CID 83104244
1-(6-amino-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79827817
4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide
CID 83103056
2-amino-3-[3-(methylcarbamoyl)morpholin-4-yl]benzoic acid
CID 83103635
3-amino-4-[3-(methylcarbamoyl)morpholin-4-yl]benzoic acid
CID 83103492

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-5-nitro-2-pyridinyl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(6-amino-5-nitro-2-pyridinyl)-N-methylmorpholine-3-carboxamide (CID 83105439) is 4-(6-amino-5-nitro-2-pyridinyl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(6-amino-5-nitro-2-pyridinyl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(6-amino-5-nitro-2-pyridinyl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1c1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 4-(6-amino-5-nitro-2-pyridinyl)-N-methylmorpholine-3-carboxamide?
The InChIKey is DYZYSZOTKLUKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4/c1-13-11(17)8-6-20-5-4-15(8)9-3-2-7(16(18)19)10(12)14-9/h2-3,8H,4-6H2,1H3,(H2,12,14)(H,13,17).
What are the key properties of 4-(6-amino-5-nitro-2-pyridinyl)-N-methylmorpholine-3-carboxamide?
4-(6-amino-5-nitro-2-pyridinyl)-N-methylmorpholine-3-carboxamide has a molecular weight of 281.27 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5-nitro-2-pyridinyl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83105439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).