4-[2-(ethylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid

C10H12N2O3S — CID 79554887

IUPAC4-[2-(ethylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
SMILESCCNC(=O)CSc1ccnc(C(=O)O)c1
InChIInChI=1S/C10H12N2O3S/c1-2-11-9(13)6-16-7-3-4-12-8(5-7)10(14)15/h3-5H,2,6H2,1H3,(H,11,13)(H,14,15)
InChIKeyRXQJWOIDWQTBSE-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.01
Rot. Bonds5

About 4-[2-(ethylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid

4-[2-(ethylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid (PubChem CID 79554887) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-[2-(ethylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(ethylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
PubChem CID79554887
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name4-[2-(ethylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
SMILESCCNC(=O)CSc1ccnc(C(=O)O)c1
InChIInChI=1S/C10H12N2O3S/c1-2-11-9(13)6-16-7-3-4-12-8(5-7)10(14)15/h3-5H,2,6H2,1H3,(H,11,13)(H,14,15)
InChIKeyRXQJWOIDWQTBSE-UHFFFAOYSA-N
XLogP1.01
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(butylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
CID 79554876
4-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
CID 79554045
4-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
CID 79554554
4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
CID 79554641
4-[2-(tert-butylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
CID 79561719
4-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpyridine-2-carboxylic acid
CID 79554034
4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
CID 79554377
4-butan-2-ylsulfanylpyridine-2-carboxylic acid
CID 43143115
4-but-2-enylsulfanylpyridine-2-carboxylic acid
CID 79554712
4-(3-methylbut-3-enylsulfanyl)pyridine-2-carboxylic acid
CID 114471358
4-pent-3-ynylsulfanylpyridine-2-carboxylic acid
CID 104804258
N-ethyl-2-pyrimidin-2-ylsulfanylacetamide
CID 39082382

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid?
The IUPAC name of 4-[2-(ethylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid (CID 79554887) is 4-[2-(ethylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(ethylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid?
The canonical SMILES for 4-[2-(ethylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid is CCNC(=O)CSc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[2-(ethylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid?
The InChIKey is RXQJWOIDWQTBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-2-11-9(13)6-16-7-3-4-12-8(5-7)10(14)15/h3-5H,2,6H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 4-[2-(ethylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid?
4-[2-(ethylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid has a molecular weight of 240.28 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid is sourced from PubChem (CID 79554887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).