2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpyridine-4-carboxylic acid

C12H15N3O4S — CID 61299327

IUPAC2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpyridine-4-carboxylic acid
SMILESCCNC(=O)NC(=O)C(C)Sc1cc(C(=O)O)ccn1
InChIInChI=1S/C12H15N3O4S/c1-3-13-12(19)15-10(16)7(2)20-9-6-8(11(17)18)4-5-14-9/h4-7H,3H2,1-2H3,(H,17,18)(H2,13,15,16,19)
InChIKeyQSECKSCXKXJNFV-UHFFFAOYSA-N
MW297.34 g/mol
LogP1.11
Rot. Bonds5

About 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpyridine-4-carboxylic acid

2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpyridine-4-carboxylic acid (PubChem CID 61299327) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpyridine-4-carboxylic acid
PubChem CID61299327
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpyridine-4-carboxylic acid
SMILESCCNC(=O)NC(=O)C(C)Sc1cc(C(=O)O)ccn1
InChIInChI=1S/C12H15N3O4S/c1-3-13-12(19)15-10(16)7(2)20-9-6-8(11(17)18)4-5-14-9/h4-7H,3H2,1-2H3,(H,17,18)(H2,13,15,16,19)
InChIKeyQSECKSCXKXJNFV-UHFFFAOYSA-N
XLogP1.11
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-anilino-1-oxopropan-2-yl)sulfanylpyridine-4-carboxylic acid
CID 61298751
2-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylpyridine-4-carboxylic acid
CID 61300281
(2R)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 40704918
(2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 94214694
4-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpyridine-2-carboxylic acid
CID 79554034
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(ethylcarbamoyl)propanamide
CID 6412408
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 51468554
N-(ethylcarbamoyl)-2-(4-methylsulfonylphenyl)sulfanylpropanamide
CID 56822525
(2S)-N-(ethylcarbamoyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214626
2-[2-oxo-2-(pentan-2-ylamino)ethyl]sulfanylpyridine-4-carboxylic acid
CID 61300490
2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 66346878
(2S)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(ethylcarbamoyl)propanamide
CID 8850190

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpyridine-4-carboxylic acid?
The IUPAC name of 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpyridine-4-carboxylic acid (CID 61299327) is 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpyridine-4-carboxylic acid is CCNC(=O)NC(=O)C(C)Sc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpyridine-4-carboxylic acid?
The InChIKey is QSECKSCXKXJNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-3-13-12(19)15-10(16)7(2)20-9-6-8(11(17)18)4-5-14-9/h4-7H,3H2,1-2H3,(H,17,18)(H2,13,15,16,19).
What are the key properties of 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpyridine-4-carboxylic acid?
2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpyridine-4-carboxylic acid has a molecular weight of 297.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpyridine-4-carboxylic acid is sourced from PubChem (CID 61299327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).