1-[4-(6-methoxy-3-nitro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine

C12H18N4O4 — CID 115323324

IUPAC1-[4-(6-methoxy-3-nitro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine
SMILESCNCC1CN(c2nc(OC)ccc2[N+](=O)[O-])CCO1
InChIInChI=1S/C12H18N4O4/c1-13-7-9-8-15(5-6-20-9)12-10(16(17)18)3-4-11(14-12)19-2/h3-4,9,13H,5-8H2,1-2H3
InChIKeyCAGILCOIXOBWBD-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.42
Rot. Bonds5

About 1-[4-(6-methoxy-3-nitro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine

1-[4-(6-methoxy-3-nitro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine (PubChem CID 115323324) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[4-(6-methoxy-3-nitro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(6-methoxy-3-nitro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine
PubChem CID115323324
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name1-[4-(6-methoxy-3-nitro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine
SMILESCNCC1CN(c2nc(OC)ccc2[N+](=O)[O-])CCO1
InChIInChI=1S/C12H18N4O4/c1-13-7-9-8-15(5-6-20-9)12-10(16(17)18)3-4-11(14-12)19-2/h3-4,9,13H,5-8H2,1-2H3
InChIKeyCAGILCOIXOBWBD-UHFFFAOYSA-N
XLogP0.42
TPSA89.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.42
H-Bond Donors ≤ 51
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

1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine
CID 115323244
1-[4-(3-bromo-5-nitro-4-pyridinyl)morpholin-2-yl]-N-methylmethanamine
CID 103519667
[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine
CID 115323231
1-(6-methoxy-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine
CID 115323328
1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-4-ol
CID 80703735
6-methoxy-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 79882191
1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide
CID 2826405
6-(2-methylmorpholin-4-yl)-5-nitropyridin-2-amine
CID 80764724
1-(6-methoxy-3-nitro-2-pyridinyl)-1,4-diazepane
CID 113286359
1-(3-chloropropyl)-4-(6-methoxy-3-nitro-2-pyridinyl)piperazine
CID 110184367
1-[4-(2-methoxy-5-methylphenyl)morpholin-2-yl]-N-methylmethanamine
CID 82297538
6-methoxy-3-nitro-2-pyrrol-1-ylpyridine
CID 10560813

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methoxy-3-nitro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(6-methoxy-3-nitro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine (CID 115323324) is 1-[4-(6-methoxy-3-nitro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(6-methoxy-3-nitro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(6-methoxy-3-nitro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine is CNCC1CN(c2nc(OC)ccc2[N+](=O)[O-])CCO1.
What is the InChIKey of 1-[4-(6-methoxy-3-nitro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine?
The InChIKey is CAGILCOIXOBWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-13-7-9-8-15(5-6-20-9)12-10(16(17)18)3-4-11(14-12)19-2/h3-4,9,13H,5-8H2,1-2H3.
What are the key properties of 1-[4-(6-methoxy-3-nitro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine?
1-[4-(6-methoxy-3-nitro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine has a molecular weight of 282.30 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methoxy-3-nitro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 115323324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).