3-[(6-cyanopyridine-3-carbonyl)amino]pyridine-2-sulfinic acid

C12H8N4O3S — CID 171501249

IUPAC3-[(6-cyanopyridine-3-carbonyl)amino]pyridine-2-sulfinic acid
SMILESN#Cc1ccc(C(=O)Nc2cccnc2S(=O)O)cn1
InChIInChI=1S/C12H8N4O3S/c13-6-9-4-3-8(7-15-9)11(17)16-10-2-1-5-14-12(10)20(18)19/h1-5,7H,(H,16,17)(H,18,19)
InChIKeyNPSGANHZXIPWOD-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.18
Rot. Bonds3

About 3-[(6-cyanopyridine-3-carbonyl)amino]pyridine-2-sulfinic acid

3-[(6-cyanopyridine-3-carbonyl)amino]pyridine-2-sulfinic acid (PubChem CID 171501249) has the molecular formula C12H8N4O3S and a molecular weight of 288.29 g/mol. Its IUPAC name is 3-[(6-cyanopyridine-3-carbonyl)amino]pyridine-2-sulfinic acid.

Molecular Properties

Compound Name3-[(6-cyanopyridine-3-carbonyl)amino]pyridine-2-sulfinic acid
PubChem CID171501249
Molecular FormulaC12H8N4O3S
Molecular Weight288.29 g/mol
Exact Mass288.03
IUPAC Name3-[(6-cyanopyridine-3-carbonyl)amino]pyridine-2-sulfinic acid
SMILESN#Cc1ccc(C(=O)Nc2cccnc2S(=O)O)cn1
InChIInChI=1S/C12H8N4O3S/c13-6-9-4-3-8(7-15-9)11(17)16-10-2-1-5-14-12(10)20(18)19/h1-5,7H,(H,16,17)(H,18,19)
InChIKeyNPSGANHZXIPWOD-UHFFFAOYSA-N
XLogP1.18
TPSA115.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

3-[[6-(difluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinic acid
CID 171501655
3-[[6-(1-cyanocyclopropyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinate
CID 171501290
6-cyano-N-[3-(1,1-difluoroethyl)-2-methylsulfanylphenyl]pyridine-3-carboxamide
CID 172605457
3-(4,4,4-trifluorobutanoylamino)pyridine-2-sulfinic acid
CID 171501718
6-cyano-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyridine-3-carboxamide
CID 90651357
5-(4-oxo-4-phenylbutanoyl)pyridine-2-carbonitrile
CID 157476958
6-cyano-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 91831670
1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109050221
N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160656
N-(2-aminophenyl)-4-[[[4-(6-cyano-3-pyridinyl)pyrimidin-2-yl]amino]methyl]benzamide
CID 44570853
5-chloro-2-[(6-methylpyridine-3-carbonyl)amino]benzenesulfinic acid
CID 171502265
6-cyano-N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]pyridine-3-carboxamide
CID 124844888

Frequently Asked Questions

What is the IUPAC name of 3-[(6-cyanopyridine-3-carbonyl)amino]pyridine-2-sulfinic acid?
The IUPAC name of 3-[(6-cyanopyridine-3-carbonyl)amino]pyridine-2-sulfinic acid (CID 171501249) is 3-[(6-cyanopyridine-3-carbonyl)amino]pyridine-2-sulfinic acid.
What is the SMILES notation for 3-[(6-cyanopyridine-3-carbonyl)amino]pyridine-2-sulfinic acid?
The canonical SMILES for 3-[(6-cyanopyridine-3-carbonyl)amino]pyridine-2-sulfinic acid is N#Cc1ccc(C(=O)Nc2cccnc2S(=O)O)cn1.
What is the InChIKey of 3-[(6-cyanopyridine-3-carbonyl)amino]pyridine-2-sulfinic acid?
The InChIKey is NPSGANHZXIPWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O3S/c13-6-9-4-3-8(7-15-9)11(17)16-10-2-1-5-14-12(10)20(18)19/h1-5,7H,(H,16,17)(H,18,19).
What are the key properties of 3-[(6-cyanopyridine-3-carbonyl)amino]pyridine-2-sulfinic acid?
3-[(6-cyanopyridine-3-carbonyl)amino]pyridine-2-sulfinic acid has a molecular weight of 288.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-cyanopyridine-3-carbonyl)amino]pyridine-2-sulfinic acid is sourced from PubChem (CID 171501249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).