5-[2-(ethylcarbamoylamino)-2-oxoethoxy]pyridine-3-carboxylic acid

C11H13N3O5 — CID 55258894

IUPAC5-[2-(ethylcarbamoylamino)-2-oxoethoxy]pyridine-3-carboxylic acid
SMILESCCNC(=O)NC(=O)COc1cncc(C(=O)O)c1
InChIInChI=1S/C11H13N3O5/c1-2-13-11(18)14-9(15)6-19-8-3-7(10(16)17)4-12-5-8/h3-5H,2,6H2,1H3,(H,16,17)(H2,13,14,15,18)
InChIKeyMZLIBBWPMXIXAG-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.00
Rot. Bonds5

About 5-[2-(ethylcarbamoylamino)-2-oxoethoxy]pyridine-3-carboxylic acid

5-[2-(ethylcarbamoylamino)-2-oxoethoxy]pyridine-3-carboxylic acid (PubChem CID 55258894) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 5-[2-(ethylcarbamoylamino)-2-oxoethoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(ethylcarbamoylamino)-2-oxoethoxy]pyridine-3-carboxylic acid
PubChem CID55258894
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name5-[2-(ethylcarbamoylamino)-2-oxoethoxy]pyridine-3-carboxylic acid
SMILESCCNC(=O)NC(=O)COc1cncc(C(=O)O)c1
InChIInChI=1S/C11H13N3O5/c1-2-13-11(18)14-9(15)6-19-8-3-7(10(16)17)4-12-5-8/h3-5H,2,6H2,1H3,(H,16,17)(H2,13,14,15,18)
InChIKeyMZLIBBWPMXIXAG-UHFFFAOYSA-N
XLogP0.00
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-3-carboxylic acid
CID 55256600
5-[2-(diethylamino)-2-oxoethoxy]pyridine-3-carboxylic acid
CID 63851867
5-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethoxy]pyridine-3-carboxylic acid
CID 63850009
5-hexoxypyridine-3-carboxylic acid
CID 63850317
5-[2-(2-bromoanilino)-2-oxoethoxy]pyridine-3-carboxylic acid
CID 63851160
5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid
CID 63851857
4-[2-(butylcarbamoylamino)-2-oxoethoxy]benzoic acid
CID 43214758
5-(4-methoxybutoxy)pyridine-3-carboxylic acid
CID 104646807
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]pyridine-3-carboxylic acid
CID 167741543
5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid
CID 4738593
5-pentan-2-yloxypyridine-3-carboxylic acid
CID 107890063
5-[(1-ethylpyrazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 63852192

Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylcarbamoylamino)-2-oxoethoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[2-(ethylcarbamoylamino)-2-oxoethoxy]pyridine-3-carboxylic acid (CID 55258894) is 5-[2-(ethylcarbamoylamino)-2-oxoethoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-(ethylcarbamoylamino)-2-oxoethoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-(ethylcarbamoylamino)-2-oxoethoxy]pyridine-3-carboxylic acid is CCNC(=O)NC(=O)COc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[2-(ethylcarbamoylamino)-2-oxoethoxy]pyridine-3-carboxylic acid?
The InChIKey is MZLIBBWPMXIXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-2-13-11(18)14-9(15)6-19-8-3-7(10(16)17)4-12-5-8/h3-5H,2,6H2,1H3,(H,16,17)(H2,13,14,15,18).
What are the key properties of 5-[2-(ethylcarbamoylamino)-2-oxoethoxy]pyridine-3-carboxylic acid?
5-[2-(ethylcarbamoylamino)-2-oxoethoxy]pyridine-3-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylcarbamoylamino)-2-oxoethoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 55258894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).