N,2,5,6-tetramethoxy-N-methylpyridine-3-carboxamide

C11H16N2O5 — CID 71300148

IUPACN,2,5,6-tetramethoxy-N-methylpyridine-3-carboxamide
SMILESCOc1cc(C(=O)N(C)OC)c(OC)nc1OC
InChIInChI=1S/C11H16N2O5/c1-13(18-5)11(14)7-6-8(15-2)10(17-4)12-9(7)16-3/h6H,1-5H3
InChIKeyJHYIVTVMUJLJAO-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.74
Rot. Bonds5

About N,2,5,6-tetramethoxy-N-methylpyridine-3-carboxamide

N,2,5,6-tetramethoxy-N-methylpyridine-3-carboxamide (PubChem CID 71300148) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is N,2,5,6-tetramethoxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN,2,5,6-tetramethoxy-N-methylpyridine-3-carboxamide
PubChem CID71300148
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC NameN,2,5,6-tetramethoxy-N-methylpyridine-3-carboxamide
SMILESCOc1cc(C(=O)N(C)OC)c(OC)nc1OC
InChIInChI=1S/C11H16N2O5/c1-13(18-5)11(14)7-6-8(15-2)10(17-4)12-9(7)16-3/h6H,1-5H3
InChIKeyJHYIVTVMUJLJAO-UHFFFAOYSA-N
XLogP0.74
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2,5,6-tetramethoxy-N-methylpyridine-3-carboxamide?
The IUPAC name of N,2,5,6-tetramethoxy-N-methylpyridine-3-carboxamide (CID 71300148) is N,2,5,6-tetramethoxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N,2,5,6-tetramethoxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for N,2,5,6-tetramethoxy-N-methylpyridine-3-carboxamide is COc1cc(C(=O)N(C)OC)c(OC)nc1OC.
What is the InChIKey of N,2,5,6-tetramethoxy-N-methylpyridine-3-carboxamide?
The InChIKey is JHYIVTVMUJLJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-13(18-5)11(14)7-6-8(15-2)10(17-4)12-9(7)16-3/h6H,1-5H3.
What are the key properties of N,2,5,6-tetramethoxy-N-methylpyridine-3-carboxamide?
N,2,5,6-tetramethoxy-N-methylpyridine-3-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5,6-tetramethoxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 71300148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).