4-(methoxymethyl)-6-methyl-2-morpholin-4-yl-5-nitropyridine-3-carbonitrile

C13H16N4O4 — CID 3698261

IUPAC4-(methoxymethyl)-6-methyl-2-morpholin-4-yl-5-nitropyridine-3-carbonitrile
SMILESCOCc1c(C#N)c(N2CCOCC2)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C13H16N4O4/c1-9-12(17(18)19)11(8-20-2)10(7-14)13(15-9)16-3-5-21-6-4-16/h3-6,8H2,1-2H3
InChIKeyKGLQMRLMEZEBPA-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.15
Rot. Bonds4

About 4-(methoxymethyl)-6-methyl-2-morpholin-4-yl-5-nitropyridine-3-carbonitrile

4-(methoxymethyl)-6-methyl-2-morpholin-4-yl-5-nitropyridine-3-carbonitrile (PubChem CID 3698261) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-methyl-2-morpholin-4-yl-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(methoxymethyl)-6-methyl-2-morpholin-4-yl-5-nitropyridine-3-carbonitrile
PubChem CID3698261
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name4-(methoxymethyl)-6-methyl-2-morpholin-4-yl-5-nitropyridine-3-carbonitrile
SMILESCOCc1c(C#N)c(N2CCOCC2)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C13H16N4O4/c1-9-12(17(18)19)11(8-20-2)10(7-14)13(15-9)16-3-5-21-6-4-16/h3-6,8H2,1-2H3
InChIKeyKGLQMRLMEZEBPA-UHFFFAOYSA-N
XLogP1.15
TPSA101.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.15
H-Bond Donors ≤ 50
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'}

Analyze 4-(methoxymethyl)-6-methyl-2-morpholin-4-yl-5-nitropyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-methyl-2-morpholin-4-yl-5-nitropyridine-3-carbonitrile?
The IUPAC name of 4-(methoxymethyl)-6-methyl-2-morpholin-4-yl-5-nitropyridine-3-carbonitrile (CID 3698261) is 4-(methoxymethyl)-6-methyl-2-morpholin-4-yl-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 4-(methoxymethyl)-6-methyl-2-morpholin-4-yl-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 4-(methoxymethyl)-6-methyl-2-morpholin-4-yl-5-nitropyridine-3-carbonitrile is COCc1c(C#N)c(N2CCOCC2)nc(C)c1[N+](=O)[O-].
What is the InChIKey of 4-(methoxymethyl)-6-methyl-2-morpholin-4-yl-5-nitropyridine-3-carbonitrile?
The InChIKey is KGLQMRLMEZEBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-9-12(17(18)19)11(8-20-2)10(7-14)13(15-9)16-3-5-21-6-4-16/h3-6,8H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-6-methyl-2-morpholin-4-yl-5-nitropyridine-3-carbonitrile?
4-(methoxymethyl)-6-methyl-2-morpholin-4-yl-5-nitropyridine-3-carbonitrile has a molecular weight of 292.30 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-methyl-2-morpholin-4-yl-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 3698261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).