ethyl 5-(ethoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate

C13H18N2O4 — CID 746257

IUPACethyl 5-(ethoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)Nc1cc(C(=O)OCC)c(C)nc1C
InChIInChI=1S/C13H18N2O4/c1-5-18-12(16)10-7-11(9(4)14-8(10)3)15-13(17)19-6-2/h7H,5-6H2,1-4H3,(H,15,17)
InChIKeyCGZZUSCOZCYYSJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.44
Rot. Bonds4

About ethyl 5-(ethoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate

ethyl 5-(ethoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate (PubChem CID 746257) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 5-(ethoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(ethoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate
PubChem CID746257
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nameethyl 5-(ethoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)Nc1cc(C(=O)OCC)c(C)nc1C
InChIInChI=1S/C13H18N2O4/c1-5-18-12(16)10-7-11(9(4)14-8(10)3)15-13(17)19-6-2/h7H,5-6H2,1-4H3,(H,15,17)
InChIKeyCGZZUSCOZCYYSJ-UHFFFAOYSA-N
XLogP2.44
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(ethoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-(ethoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate (CID 746257) is ethyl 5-(ethoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(ethoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(ethoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate is CCOC(=O)Nc1cc(C(=O)OCC)c(C)nc1C.
What is the InChIKey of ethyl 5-(ethoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate?
The InChIKey is CGZZUSCOZCYYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-5-18-12(16)10-7-11(9(4)14-8(10)3)15-13(17)19-6-2/h7H,5-6H2,1-4H3,(H,15,17).
What are the key properties of ethyl 5-(ethoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate?
ethyl 5-(ethoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(ethoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 746257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).