ethyl 6-carbamoylpyridine-2-carboxylate

C9H10N2O3 — CID 91247480

IUPACethyl 6-carbamoylpyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(N)=O)n1
InChIInChI=1S/C9H10N2O3/c1-2-14-9(13)7-5-3-4-6(11-7)8(10)12/h3-5H,2H2,1H3,(H2,10,12)
InChIKeyCVNMLEJMDLWFGW-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.36
Rot. Bonds3

About ethyl 6-carbamoylpyridine-2-carboxylate

ethyl 6-carbamoylpyridine-2-carboxylate (PubChem CID 91247480) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is ethyl 6-carbamoylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-carbamoylpyridine-2-carboxylate
PubChem CID91247480
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Nameethyl 6-carbamoylpyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(N)=O)n1
InChIInChI=1S/C9H10N2O3/c1-2-14-9(13)7-5-3-4-6(11-7)8(10)12/h3-5H,2H2,1H3,(H2,10,12)
InChIKeyCVNMLEJMDLWFGW-UHFFFAOYSA-N
XLogP0.36
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-carbamoylpyridine-2-carboxylate?
The IUPAC name of ethyl 6-carbamoylpyridine-2-carboxylate (CID 91247480) is ethyl 6-carbamoylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-carbamoylpyridine-2-carboxylate?
The canonical SMILES for ethyl 6-carbamoylpyridine-2-carboxylate is CCOC(=O)c1cccc(C(N)=O)n1.
What is the InChIKey of ethyl 6-carbamoylpyridine-2-carboxylate?
The InChIKey is CVNMLEJMDLWFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-2-14-9(13)7-5-3-4-6(11-7)8(10)12/h3-5H,2H2,1H3,(H2,10,12).
What are the key properties of ethyl 6-carbamoylpyridine-2-carboxylate?
ethyl 6-carbamoylpyridine-2-carboxylate has a molecular weight of 194.19 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-carbamoylpyridine-2-carboxylate is sourced from PubChem (CID 91247480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).