2-(3-pyridin-4-ylpropanoylamino)thiophene-3-carboxylic acid

C13H12N2O3S — CID 113269888

IUPAC2-(3-pyridin-4-ylpropanoylamino)thiophene-3-carboxylic acid
SMILESO=C(CCc1ccncc1)Nc1sccc1C(=O)O
InChIInChI=1S/C13H12N2O3S/c16-11(2-1-9-3-6-14-7-4-9)15-12-10(13(17)18)5-8-19-12/h3-8H,1-2H2,(H,15,16)(H,17,18)
InChIKeyHASCVRJAWWCJPF-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.41
Rot. Bonds5

About 2-(3-pyridin-4-ylpropanoylamino)thiophene-3-carboxylic acid

2-(3-pyridin-4-ylpropanoylamino)thiophene-3-carboxylic acid (PubChem CID 113269888) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-(3-pyridin-4-ylpropanoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-pyridin-4-ylpropanoylamino)thiophene-3-carboxylic acid
PubChem CID113269888
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name2-(3-pyridin-4-ylpropanoylamino)thiophene-3-carboxylic acid
SMILESO=C(CCc1ccncc1)Nc1sccc1C(=O)O
InChIInChI=1S/C13H12N2O3S/c16-11(2-1-9-3-6-14-7-4-9)15-12-10(13(17)18)5-8-19-12/h3-8H,1-2H2,(H,15,16)(H,17,18)
InChIKeyHASCVRJAWWCJPF-UHFFFAOYSA-N
XLogP2.41
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-bromophenyl)propanoylamino]thiophene-3-carboxylic acid
CID 69408719
2-[3-(3-chloro-4-methylphenyl)propanoylamino]thiophene-3-carboxylic acid
CID 43357356
5-fluoro-2-(3-pyridin-4-ylpropanoylamino)benzoic acid
CID 114289592
methyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate
CID 7167092
1-(2-methylthiophen-3-yl)-3-pyridin-4-ylpropan-1-one
CID 102839923
ethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate
CID 7167179
2-[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]thiophene-3-carboxylic acid
CID 81410521
2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid
CID 16772284
2-[3-(2,2-dimethylpropanoylamino)propanoylamino]thiophene-3-carboxylic acid
CID 43357239
2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid
CID 29045233
2-[2-(3-pyridin-4-ylpropanoylamino)phenyl]acetic acid
CID 81455570
4-hydroxy-3-(3-pyridin-4-ylpropanoylamino)benzoic acid
CID 107264616

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-4-ylpropanoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(3-pyridin-4-ylpropanoylamino)thiophene-3-carboxylic acid (CID 113269888) is 2-(3-pyridin-4-ylpropanoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(3-pyridin-4-ylpropanoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(3-pyridin-4-ylpropanoylamino)thiophene-3-carboxylic acid is O=C(CCc1ccncc1)Nc1sccc1C(=O)O.
What is the InChIKey of 2-(3-pyridin-4-ylpropanoylamino)thiophene-3-carboxylic acid?
The InChIKey is HASCVRJAWWCJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c16-11(2-1-9-3-6-14-7-4-9)15-12-10(13(17)18)5-8-19-12/h3-8H,1-2H2,(H,15,16)(H,17,18).
What are the key properties of 2-(3-pyridin-4-ylpropanoylamino)thiophene-3-carboxylic acid?
2-(3-pyridin-4-ylpropanoylamino)thiophene-3-carboxylic acid has a molecular weight of 276.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-4-ylpropanoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 113269888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).