6-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid

C13H11N3O3S — CID 61318585

IUPAC6-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCSc1ncccc1C(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C13H11N3O3S/c1-20-12-9(3-2-6-14-12)11(17)16-10-5-4-8(7-15-10)13(18)19/h2-7H,1H3,(H,18,19)(H,15,16,17)
InChIKeyZAKXTRWYSWAADU-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.15
Rot. Bonds4

About 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid

6-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 61318585) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID61318585
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name6-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCSc1ncccc1C(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C13H11N3O3S/c1-20-12-9(3-2-6-14-12)11(17)16-10-5-4-8(7-15-10)13(18)19/h2-7H,1H3,(H,18,19)(H,15,16,17)
InChIKeyZAKXTRWYSWAADU-UHFFFAOYSA-N
XLogP2.15
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63154428
6-[(2-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61317349
N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-2-methylsulfanylpyridine-3-carboxamide
CID 10409496
3-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 43171778
6-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 81267592
N-(5-methyl-2-pyridinyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 43019366
2-fluoro-6-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
CID 43442788
2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
CID 43171833
6-[(2-ethoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61319184
6-[[2-(methoxymethyl)benzoyl]amino]pyridine-3-carboxylic acid
CID 61317359
2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 2111300
2-[5-[(2-methylsulfanylpyridine-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107339030

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid (CID 61318585) is 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid is CSc1ncccc1C(=O)Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is ZAKXTRWYSWAADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-20-12-9(3-2-6-14-12)11(17)16-10-5-4-8(7-15-10)13(18)19/h2-7H,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid?
6-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 289.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 61318585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).