2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid

C12H9N3O3S — CID 24694206

IUPAC2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
SMILESNC(=O)c1cccnc1Sc1ncccc1C(=O)O
InChIInChI=1S/C12H9N3O3S/c13-9(16)7-3-1-5-14-10(7)19-11-8(12(17)18)4-2-6-15-11/h1-6H,(H2,13,16)(H,17,18)
InChIKeyADJLIRRSSZASMT-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.42
Rot. Bonds4

About 2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid

2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid (PubChem CID 24694206) has the molecular formula C12H9N3O3S and a molecular weight of 275.29 g/mol. Its IUPAC name is 2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
PubChem CID24694206
Molecular FormulaC12H9N3O3S
Molecular Weight275.29 g/mol
Exact Mass275.04
IUPAC Name2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
SMILESNC(=O)c1cccnc1Sc1ncccc1C(=O)O
InChIInChI=1S/C12H9N3O3S/c13-9(16)7-3-1-5-14-10(7)19-11-8(12(17)18)4-2-6-15-11/h1-6H,(H2,13,16)(H,17,18)
InChIKeyADJLIRRSSZASMT-UHFFFAOYSA-N
XLogP1.42
TPSA106.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridazin-3-ylsulfanylpyridine-3-carboxylic acid
CID 62482824
2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide
CID 725071
2-[(3-carbamoyl-2-pyridinyl)sulfanyl]acetic acid
CID 24707226
2-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]pyridine-3-carboxylic acid
CID 114570693
2-naphthalen-2-ylsulfanylpyridine-3-carboxamide
CID 36557143
2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid
CID 11644442
2-(3,4-difluorophenyl)sulfanylpyridine-3-carboxamide
CID 31536570
2-(3,6-dimethylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 65416667
2-(trisulfanyl)pyridine-3-carboxylic acid
CID 129081855
2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 43395315
2-[2-[(3-carbamoyl-2-pyridinyl)sulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 29269387
2-(2-aminoethylsulfanyl)pyridine-3-carboxylic acid;hydrochloride
CID 70452935

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid (CID 24694206) is 2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid is NC(=O)c1cccnc1Sc1ncccc1C(=O)O.
What is the InChIKey of 2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid?
The InChIKey is ADJLIRRSSZASMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3S/c13-9(16)7-3-1-5-14-10(7)19-11-8(12(17)18)4-2-6-15-11/h1-6H,(H2,13,16)(H,17,18).
What are the key properties of 2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid?
2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid has a molecular weight of 275.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 24694206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).