5-amino-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxylic acid

C10H13N3O4S — CID 114405135

IUPAC5-amino-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H13N3O4S/c11-7-1-2-8(10(14)15)13-9(7)12-6-3-4-18(16,17)5-6/h1-2,6H,3-5,11H2,(H,12,13)(H,14,15)
InChIKeyZWDNSGCHHGKJRA-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.04
Rot. Bonds3

About 5-amino-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxylic acid

5-amino-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxylic acid (PubChem CID 114405135) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 5-amino-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxylic acid
PubChem CID114405135
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name5-amino-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H13N3O4S/c11-7-1-2-8(10(14)15)13-9(7)12-6-3-4-18(16,17)5-6/h1-2,6H,3-5,11H2,(H,12,13)(H,14,15)
InChIKeyZWDNSGCHHGKJRA-UHFFFAOYSA-N
XLogP-0.04
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-6-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide
CID 104963536
methyl 5-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylate
CID 114405790
5-bromo-4-N-(1,1-dioxothiolan-3-yl)pyrimidine-2,4-diamine
CID 80784885
4-N-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80786199
4-N-(1,1-dioxothiolan-3-yl)-2-methyl-1H-imidazole-4,5-diamine
CID 82235461
4-N-(1,1-dioxothiolan-3-yl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80932883
N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109193031
methyl 5-amino-6-(thian-4-ylamino)pyridine-2-carboxylate
CID 114408034
5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 114404952
N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine
CID 20999363
6-[(1,1-dioxothiolan-3-yl)amino]-5-nitropyridine-3-carboxylic acid
CID 81438166
4-N-(1,1-dioxothiolan-3-yl)-2-methoxybenzene-1,4-diamine
CID 55232141

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxylic acid (CID 114405135) is 5-amino-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxylic acid is Nc1ccc(C(=O)O)nc1NC1CCS(=O)(=O)C1.
What is the InChIKey of 5-amino-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxylic acid?
The InChIKey is ZWDNSGCHHGKJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c11-7-1-2-8(10(14)15)13-9(7)12-6-3-4-18(16,17)5-6/h1-2,6H,3-5,11H2,(H,12,13)(H,14,15).
What are the key properties of 5-amino-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxylic acid?
5-amino-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxylic acid has a molecular weight of 271.30 g/mol, XLogP of -0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114405135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).