5-(2-thiophen-3-ylethylcarbamoylamino)pyridine-3-carboxylic acid

C13H13N3O3S — CID 63158090

IUPAC5-(2-thiophen-3-ylethylcarbamoylamino)pyridine-3-carboxylic acid
SMILESO=C(NCCc1ccsc1)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H13N3O3S/c17-12(18)10-5-11(7-14-6-10)16-13(19)15-3-1-9-2-4-20-8-9/h2,4-8H,1,3H2,(H,17,18)(H2,15,16,19)
InChIKeyNVZQGTJTCLKNBG-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.21
Rot. Bonds5

About 5-(2-thiophen-3-ylethylcarbamoylamino)pyridine-3-carboxylic acid

5-(2-thiophen-3-ylethylcarbamoylamino)pyridine-3-carboxylic acid (PubChem CID 63158090) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-(2-thiophen-3-ylethylcarbamoylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-thiophen-3-ylethylcarbamoylamino)pyridine-3-carboxylic acid
PubChem CID63158090
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name5-(2-thiophen-3-ylethylcarbamoylamino)pyridine-3-carboxylic acid
SMILESO=C(NCCc1ccsc1)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H13N3O3S/c17-12(18)10-5-11(7-14-6-10)16-13(19)15-3-1-9-2-4-20-8-9/h2,4-8H,1,3H2,(H,17,18)(H2,15,16,19)
InChIKeyNVZQGTJTCLKNBG-UHFFFAOYSA-N
XLogP2.21
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid
CID 115296801
4-chloro-3-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid
CID 61475929
5-(2-methylsulfonylethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63157485
5-(benzylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158025
5-(1,3-thiazol-4-ylmethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63824516
5-(pent-4-ynylcarbamoylamino)pyridine-3-carboxylic acid
CID 106222767
5-[2-(methanesulfonamido)ethylcarbamoylamino]pyridine-3-carboxylic acid
CID 63157529
5-[4-(dimethylamino)butylcarbamoylamino]pyridine-3-carboxylic acid
CID 63157813
4-chloro-2-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid
CID 61475728
5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid
CID 114618025
5-[(2-thiophen-3-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090537
4-(2-thiophen-3-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113352919

Frequently Asked Questions

What is the IUPAC name of 5-(2-thiophen-3-ylethylcarbamoylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(2-thiophen-3-ylethylcarbamoylamino)pyridine-3-carboxylic acid (CID 63158090) is 5-(2-thiophen-3-ylethylcarbamoylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2-thiophen-3-ylethylcarbamoylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2-thiophen-3-ylethylcarbamoylamino)pyridine-3-carboxylic acid is O=C(NCCc1ccsc1)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-(2-thiophen-3-ylethylcarbamoylamino)pyridine-3-carboxylic acid?
The InChIKey is NVZQGTJTCLKNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c17-12(18)10-5-11(7-14-6-10)16-13(19)15-3-1-9-2-4-20-8-9/h2,4-8H,1,3H2,(H,17,18)(H2,15,16,19).
What are the key properties of 5-(2-thiophen-3-ylethylcarbamoylamino)pyridine-3-carboxylic acid?
5-(2-thiophen-3-ylethylcarbamoylamino)pyridine-3-carboxylic acid has a molecular weight of 291.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-thiophen-3-ylethylcarbamoylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63158090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).