3-[[5-ethyl-2-(pyridine-3-carbonylamino)thiophene-3-carbonyl]amino]propanoic acid

C16H17N3O4S — CID 82033552

IUPAC3-[[5-ethyl-2-(pyridine-3-carbonylamino)thiophene-3-carbonyl]amino]propanoic acid
SMILESCCc1cc(C(=O)NCCC(=O)O)c(NC(=O)c2cccnc2)s1
InChIInChI=1S/C16H17N3O4S/c1-2-11-8-12(15(23)18-7-5-13(20)21)16(24-11)19-14(22)10-4-3-6-17-9-10/h3-4,6,8-9H,2,5,7H2,1H3,(H,18,23)(H,19,22)(H,20,21)
InChIKeyRTCSDVLUTLYGFL-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.16
Rot. Bonds7

About 3-[[5-ethyl-2-(pyridine-3-carbonylamino)thiophene-3-carbonyl]amino]propanoic acid

3-[[5-ethyl-2-(pyridine-3-carbonylamino)thiophene-3-carbonyl]amino]propanoic acid (PubChem CID 82033552) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 3-[[5-ethyl-2-(pyridine-3-carbonylamino)thiophene-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[5-ethyl-2-(pyridine-3-carbonylamino)thiophene-3-carbonyl]amino]propanoic acid
PubChem CID82033552
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name3-[[5-ethyl-2-(pyridine-3-carbonylamino)thiophene-3-carbonyl]amino]propanoic acid
SMILESCCc1cc(C(=O)NCCC(=O)O)c(NC(=O)c2cccnc2)s1
InChIInChI=1S/C16H17N3O4S/c1-2-11-8-12(15(23)18-7-5-13(20)21)16(24-11)19-14(22)10-4-3-6-17-9-10/h3-4,6,8-9H,2,5,7H2,1H3,(H,18,23)(H,19,22)(H,20,21)
InChIKeyRTCSDVLUTLYGFL-UHFFFAOYSA-N
XLogP2.16
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[5-ethyl-2-(pyridine-3-carbonylamino)thiophene-3-carbonyl]amino]propanoic 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

N-[3-(2-aminoethylcarbamoyl)-5-methylthiophen-2-yl]pyridine-3-carboxamide
CID 39162703
3-[[2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]propanoic acid
CID 119351514
5-ethyl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
CID 102921506
5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid
CID 28858736
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-octadecylpyridine-3-carboxamide
CID 3547337
ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
CID 2220326
propan-2-yl 5-propan-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
CID 17173909
N-(2-aminoethyl)-5-ethyl-2-(2-methylpropanoylamino)thiophene-3-carboxamide
CID 39162735
5-ethyl-2-[(3-methylpyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63615147
methyl 5-ethyl-2-(pyridin-3-ylcarbamothioylamino)thiophene-3-carboxylate
CID 19655555
3-[[5-methyl-2-(propanoylamino)thiophene-3-carbonyl]amino]propanoic acid
CID 82033414

Frequently Asked Questions

What is the IUPAC name of 3-[[5-ethyl-2-(pyridine-3-carbonylamino)thiophene-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[5-ethyl-2-(pyridine-3-carbonylamino)thiophene-3-carbonyl]amino]propanoic acid (CID 82033552) is 3-[[5-ethyl-2-(pyridine-3-carbonylamino)thiophene-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[5-ethyl-2-(pyridine-3-carbonylamino)thiophene-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[5-ethyl-2-(pyridine-3-carbonylamino)thiophene-3-carbonyl]amino]propanoic acid is CCc1cc(C(=O)NCCC(=O)O)c(NC(=O)c2cccnc2)s1.
What is the InChIKey of 3-[[5-ethyl-2-(pyridine-3-carbonylamino)thiophene-3-carbonyl]amino]propanoic acid?
The InChIKey is RTCSDVLUTLYGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-2-11-8-12(15(23)18-7-5-13(20)21)16(24-11)19-14(22)10-4-3-6-17-9-10/h3-4,6,8-9H,2,5,7H2,1H3,(H,18,23)(H,19,22)(H,20,21).
What are the key properties of 3-[[5-ethyl-2-(pyridine-3-carbonylamino)thiophene-3-carbonyl]amino]propanoic acid?
3-[[5-ethyl-2-(pyridine-3-carbonylamino)thiophene-3-carbonyl]amino]propanoic acid has a molecular weight of 347.40 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-ethyl-2-(pyridine-3-carbonylamino)thiophene-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 82033552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).