ethyl (6E)-1-[2-(dimethylamino)ethyl]-6-(nitrosomethylidene)pyridine-3-carboxylate

C13H19N3O3 — CID 6043389

IUPACethyl (6E)-1-[2-(dimethylamino)ethyl]-6-(nitrosomethylidene)pyridine-3-carboxylate
SMILESCCOC(=O)C1=CN(CCN(C)C)/C(=C/N=O)C=C1
InChIInChI=1S/C13H19N3O3/c1-4-19-13(17)11-5-6-12(9-14-18)16(10-11)8-7-15(2)3/h5-6,9-10H,4,7-8H2,1-3H3/b12-9+
InChIKeyWJZFGYKKLOGFQI-FMIVXFBMSA-N
MW265.31 g/mol
LogP1.47
Rot. Bonds6

About ethyl (6E)-1-[2-(dimethylamino)ethyl]-6-(nitrosomethylidene)pyridine-3-carboxylate

ethyl (6E)-1-[2-(dimethylamino)ethyl]-6-(nitrosomethylidene)pyridine-3-carboxylate (PubChem CID 6043389) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl (6E)-1-[2-(dimethylamino)ethyl]-6-(nitrosomethylidene)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl (6E)-1-[2-(dimethylamino)ethyl]-6-(nitrosomethylidene)pyridine-3-carboxylate
PubChem CID6043389
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nameethyl (6E)-1-[2-(dimethylamino)ethyl]-6-(nitrosomethylidene)pyridine-3-carboxylate
SMILESCCOC(=O)C1=CN(CCN(C)C)/C(=C/N=O)C=C1
InChIInChI=1S/C13H19N3O3/c1-4-19-13(17)11-5-6-12(9-14-18)16(10-11)8-7-15(2)3/h5-6,9-10H,4,7-8H2,1-3H3/b12-9+
InChIKeyWJZFGYKKLOGFQI-FMIVXFBMSA-N
XLogP1.47
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl (6E)-1-[2-(dimethylamino)ethyl]-6-(nitrosomethylidene)pyridine-3-carboxylate?
The IUPAC name of ethyl (6E)-1-[2-(dimethylamino)ethyl]-6-(nitrosomethylidene)pyridine-3-carboxylate (CID 6043389) is ethyl (6E)-1-[2-(dimethylamino)ethyl]-6-(nitrosomethylidene)pyridine-3-carboxylate.
What is the SMILES notation for ethyl (6E)-1-[2-(dimethylamino)ethyl]-6-(nitrosomethylidene)pyridine-3-carboxylate?
The canonical SMILES for ethyl (6E)-1-[2-(dimethylamino)ethyl]-6-(nitrosomethylidene)pyridine-3-carboxylate is CCOC(=O)C1=CN(CCN(C)C)/C(=C/N=O)C=C1.
What is the InChIKey of ethyl (6E)-1-[2-(dimethylamino)ethyl]-6-(nitrosomethylidene)pyridine-3-carboxylate?
The InChIKey is WJZFGYKKLOGFQI-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-19-13(17)11-5-6-12(9-14-18)16(10-11)8-7-15(2)3/h5-6,9-10H,4,7-8H2,1-3H3/b12-9+.
What are the key properties of ethyl (6E)-1-[2-(dimethylamino)ethyl]-6-(nitrosomethylidene)pyridine-3-carboxylate?
ethyl (6E)-1-[2-(dimethylamino)ethyl]-6-(nitrosomethylidene)pyridine-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6E)-1-[2-(dimethylamino)ethyl]-6-(nitrosomethylidene)pyridine-3-carboxylate is sourced from PubChem (CID 6043389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).