3-[[6-(1-cyanocyclopropyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinate

C15H11N4O3S- — CID 171501290

IUPAC3-[[6-(1-cyanocyclopropyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinate
SMILESN#CC1(c2ccc(C(=O)Nc3cccnc3S(=O)[O-])cn2)CC1
InChIInChI=1S/C15H12N4O3S/c16-9-15(5-6-15)12-4-3-10(8-18-12)13(20)19-11-2-1-7-17-14(11)23(21)22/h1-4,7-8H,5-6H2,(H,19,20)(H,21,22)/p-1
InChIKeyLTFZDEBOGGRSNI-UHFFFAOYSA-M
MW327.35 g/mol
LogP1.52
Rot. Bonds4

About 3-[[6-(1-cyanocyclopropyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinate

3-[[6-(1-cyanocyclopropyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinate (PubChem CID 171501290) has the molecular formula C15H11N4O3S- and a molecular weight of 327.35 g/mol. Its IUPAC name is 3-[[6-(1-cyanocyclopropyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinate.

Molecular Properties

Compound Name3-[[6-(1-cyanocyclopropyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinate
PubChem CID171501290
Molecular FormulaC15H11N4O3S-
Molecular Weight327.35 g/mol
Exact Mass327.06
IUPAC Name3-[[6-(1-cyanocyclopropyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinate
SMILESN#CC1(c2ccc(C(=O)Nc3cccnc3S(=O)[O-])cn2)CC1
InChIInChI=1S/C15H12N4O3S/c16-9-15(5-6-15)12-4-3-10(8-18-12)13(20)19-11-2-1-7-17-14(11)23(21)22/h1-4,7-8H,5-6H2,(H,19,20)(H,21,22)/p-1
InChIKeyLTFZDEBOGGRSNI-UHFFFAOYSA-M
XLogP1.52
TPSA118.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-cyanopyridine-3-carbonyl)amino]pyridine-2-sulfinic acid
CID 171501249
3-[[6-(difluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinic acid
CID 171501655
1-(5-sulfanyl-2-pyridinyl)cyclopropane-1-carbonitrile
CID 167301767
N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160656
6-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 66463068
N-(2-bromophenyl)-6-(2-cyanoanilino)pyridine-3-carboxamide
CID 109164779
1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109050221
1-(5-ethyl-2-pyridinyl)cyclopropane-1-carbonitrile
CID 167219039
6-(dipropylamino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109161849
N-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18148000
6-(dimethylamino)-N-(2-ethoxy-3-pyridinyl)pyridine-3-carboxamide
CID 34955483
4-methyl-N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 3730038

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(1-cyanocyclopropyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinate?
The IUPAC name of 3-[[6-(1-cyanocyclopropyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinate (CID 171501290) is 3-[[6-(1-cyanocyclopropyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinate.
What is the SMILES notation for 3-[[6-(1-cyanocyclopropyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinate?
The canonical SMILES for 3-[[6-(1-cyanocyclopropyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinate is N#CC1(c2ccc(C(=O)Nc3cccnc3S(=O)[O-])cn2)CC1.
What is the InChIKey of 3-[[6-(1-cyanocyclopropyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinate?
The InChIKey is LTFZDEBOGGRSNI-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12N4O3S/c16-9-15(5-6-15)12-4-3-10(8-18-12)13(20)19-11-2-1-7-17-14(11)23(21)22/h1-4,7-8H,5-6H2,(H,19,20)(H,21,22)/p-1.
What are the key properties of 3-[[6-(1-cyanocyclopropyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinate?
3-[[6-(1-cyanocyclopropyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinate has a molecular weight of 327.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(1-cyanocyclopropyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinate is sourced from PubChem (CID 171501290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).