5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid

C13H11N3O3S — CID 63154428

IUPAC5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCSc1ncccc1C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H11N3O3S/c1-20-12-10(3-2-4-15-12)11(17)16-9-5-8(13(18)19)6-14-7-9/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyDOENWMJBCIGBIW-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.15
Rot. Bonds4

About 5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid

5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 63154428) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID63154428
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCSc1ncccc1C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H11N3O3S/c1-20-12-10(3-2-4-15-12)11(17)16-9-5-8(13(18)19)6-14-7-9/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyDOENWMJBCIGBIW-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

6-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 61318585
2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
CID 43171833
N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 926519
5-[(2-aminobenzoyl)amino]pyridine-3-carboxylic acid
CID 63154147
2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 2111300
5-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 81266017
2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid
CID 65346541
2-[5-[(2-methylsulfanylpyridine-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107339030
N-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 46550282
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
2-methylsulfanyl-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 926631

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid (CID 63154428) is 5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid is CSc1ncccc1C(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is DOENWMJBCIGBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-20-12-10(3-2-4-15-12)11(17)16-9-5-8(13(18)19)6-14-7-9/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid?
5-[(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 5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63154428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).