N-[dibutyl-(pyridine-4-carbonylamino)oxystannyl]oxypyridine-4-carboxamide

C20H28N4O4Sn — CID 16688159

IUPACN-[dibutyl-(pyridine-4-carbonylamino)oxystannyl]oxypyridine-4-carboxamide
SMILESCCCC[Sn](CCCC)(ONC(=O)c1ccncc1)ONC(=O)c1ccncc1
InChIInChI=1S/2C6H5N2O2.2C4H9.Sn/c2*9-6(8-10)5-1-3-7-4-2-5;2*1-3-4-2;/h2*1-4H,(H-,7,8,9,10);2*1,3-4H2,2H3;/q2*-1;;;+2
InChIKeyMQNNTLSUAGYZTK-UHFFFAOYSA-N
MW507.18 g/mol
LogP3.54
Rot. Bonds12

About N-[dibutyl-(pyridine-4-carbonylamino)oxystannyl]oxypyridine-4-carboxamide

N-[dibutyl-(pyridine-4-carbonylamino)oxystannyl]oxypyridine-4-carboxamide (PubChem CID 16688159) has the molecular formula C20H28N4O4Sn and a molecular weight of 507.18 g/mol. Its IUPAC name is N-[dibutyl-(pyridine-4-carbonylamino)oxystannyl]oxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[dibutyl-(pyridine-4-carbonylamino)oxystannyl]oxypyridine-4-carboxamide
PubChem CID16688159
Molecular FormulaC20H28N4O4Sn
Molecular Weight507.18 g/mol
Exact Mass508.11
IUPAC NameN-[dibutyl-(pyridine-4-carbonylamino)oxystannyl]oxypyridine-4-carboxamide
SMILESCCCC[Sn](CCCC)(ONC(=O)c1ccncc1)ONC(=O)c1ccncc1
InChIInChI=1S/2C6H5N2O2.2C4H9.Sn/c2*9-6(8-10)5-1-3-7-4-2-5;2*1-3-4-2;/h2*1-4H,(H-,7,8,9,10);2*1,3-4H2,2H3;/q2*-1;;;+2
InChIKeyMQNNTLSUAGYZTK-UHFFFAOYSA-N
XLogP3.54
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.18
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[dibutyl-[(4-methoxybenzoyl)amino]oxystannyl]oxy-4-methoxybenzamide
CID 16688892
2-amino-N-[[(2-aminobenzoyl)amino]oxy-dibutylstannyl]oxybenzamide
CID 16687745
N-butylpyridine-4-carboxamide
CID 5030535
tributylstannyl pyridine-4-carboxylate
CID 16683957
N-pentylpyridine-4-carboxamide
CID 2307296
N-hexylpyridine-4-carboxamide
CID 3423732
pentyl pyridine-4-carboxylate
CID 531655
4-amino-N-[[(4-aminobenzoyl)amino]oxy-diethylstannyl]oxybenzamide
CID 16689083
methyl pyridine-4-carboxylate;pentanamide
CID 174992063
N'-undecylpyridine-4-carbohydrazide
CID 27387
N-pentan-3-ylpyridine-4-carboxamide
CID 137320352
4-butoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 27232734

Frequently Asked Questions

What is the IUPAC name of N-[dibutyl-(pyridine-4-carbonylamino)oxystannyl]oxypyridine-4-carboxamide?
The IUPAC name of N-[dibutyl-(pyridine-4-carbonylamino)oxystannyl]oxypyridine-4-carboxamide (CID 16688159) is N-[dibutyl-(pyridine-4-carbonylamino)oxystannyl]oxypyridine-4-carboxamide.
What is the SMILES notation for N-[dibutyl-(pyridine-4-carbonylamino)oxystannyl]oxypyridine-4-carboxamide?
The canonical SMILES for N-[dibutyl-(pyridine-4-carbonylamino)oxystannyl]oxypyridine-4-carboxamide is CCCC[Sn](CCCC)(ONC(=O)c1ccncc1)ONC(=O)c1ccncc1.
What is the InChIKey of N-[dibutyl-(pyridine-4-carbonylamino)oxystannyl]oxypyridine-4-carboxamide?
The InChIKey is MQNNTLSUAGYZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5N2O2.2C4H9.Sn/c2*9-6(8-10)5-1-3-7-4-2-5;2*1-3-4-2;/h2*1-4H,(H-,7,8,9,10);2*1,3-4H2,2H3;/q2*-1;;;+2.
What are the key properties of N-[dibutyl-(pyridine-4-carbonylamino)oxystannyl]oxypyridine-4-carboxamide?
N-[dibutyl-(pyridine-4-carbonylamino)oxystannyl]oxypyridine-4-carboxamide has a molecular weight of 507.18 g/mol, XLogP of 3.54, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dibutyl-(pyridine-4-carbonylamino)oxystannyl]oxypyridine-4-carboxamide is sourced from PubChem (CID 16688159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).