6-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid

C11H13N3O4S — CID 61304755

IUPAC6-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
SMILESCCNC(=O)NC(=O)CSc1ccc(C(=O)O)cn1
InChIInChI=1S/C11H13N3O4S/c1-2-12-11(18)14-8(15)6-19-9-4-3-7(5-13-9)10(16)17/h3-5H,2,6H2,1H3,(H,16,17)(H2,12,14,15,18)
InChIKeyHSCUIGOMICBKHU-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.72
Rot. Bonds5

About 6-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid

6-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid (PubChem CID 61304755) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 6-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
PubChem CID61304755
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name6-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
SMILESCCNC(=O)NC(=O)CSc1ccc(C(=O)O)cn1
InChIInChI=1S/C11H13N3O4S/c1-2-12-11(18)14-8(15)6-19-9-4-3-7(5-13-9)10(16)17/h3-5H,2,6H2,1H3,(H,16,17)(H2,12,14,15,18)
InChIKeyHSCUIGOMICBKHU-UHFFFAOYSA-N
XLogP0.72
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]sulfanylpyridine-3-carboxylic acid
CID 61305115
6-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61301472
6-[2-(butan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61299342
6-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61304825
3-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanyl-4-fluorobenzoic acid
CID 80556389
6-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]sulfanylpyridine-3-carboxylic acid
CID 61304972
6-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61304778
6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 46262434
6-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61304760
6-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61304933
6-(2-ethylsulfonylethylsulfanyl)pyridine-3-carboxylic acid
CID 61304813
6-but-2-enylsulfanylpyridine-3-carboxylic acid
CID 61305104

Frequently Asked Questions

What is the IUPAC name of 6-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid (CID 61304755) is 6-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid is CCNC(=O)NC(=O)CSc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
The InChIKey is HSCUIGOMICBKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-2-12-11(18)14-8(15)6-19-9-4-3-7(5-13-9)10(16)17/h3-5H,2,6H2,1H3,(H,16,17)(H2,12,14,15,18).
What are the key properties of 6-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
6-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid has a molecular weight of 283.31 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 61304755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).