ethane;8-hydroxy-5-hydroxysulfinothioyl-1,6-naphthyridine-7-carboxamide

C11H13N3O3S2 — CID 142153192

IUPACethane;8-hydroxy-5-hydroxysulfinothioyl-1,6-naphthyridine-7-carboxamide
SMILESCC.NC(=O)c1nc(S(O)=S)c2cccnc2c1O
InChIInChI=1S/C9H7N3O3S2.C2H6/c10-8(14)6-7(13)5-4(2-1-3-11-5)9(12-6)17(15)16;1-2/h1-3,13H,(H2,10,14)(H,15,16);1-2H3
InChIKeyHCIBWGQVCMVWKN-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.37
Rot. Bonds2

About ethane;8-hydroxy-5-hydroxysulfinothioyl-1,6-naphthyridine-7-carboxamide

ethane;8-hydroxy-5-hydroxysulfinothioyl-1,6-naphthyridine-7-carboxamide (PubChem CID 142153192) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is ethane;8-hydroxy-5-hydroxysulfinothioyl-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Nameethane;8-hydroxy-5-hydroxysulfinothioyl-1,6-naphthyridine-7-carboxamide
PubChem CID142153192
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC Nameethane;8-hydroxy-5-hydroxysulfinothioyl-1,6-naphthyridine-7-carboxamide
SMILESCC.NC(=O)c1nc(S(O)=S)c2cccnc2c1O
InChIInChI=1S/C9H7N3O3S2.C2H6/c10-8(14)6-7(13)5-4(2-1-3-11-5)9(12-6)17(15)16;1-2/h1-3,13H,(H2,10,14)(H,15,16);1-2H3
InChIKeyHCIBWGQVCMVWKN-UHFFFAOYSA-N
XLogP1.37
TPSA109.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxamide
CID 20750074
8-hydroxy-5-methylquinoline-7-carboxamide
CID 21271433
ethane;8-hydroxy-7-methoxycarbonyl-1,6-naphthyridine-5-carboxylic acid
CID 142808011
methyl 8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxylate
CID 59645218
isoquinoline-1-carboxamide;hydrochloride
CID 57458906
methyl 8-hydroxy-5-sulfanylidene-6H-1,6-naphthyridine-7-carboxylate
CID 142807728
6-methylquinoline-5,7,8-triol
CID 137159814
5,7-diamino-6-methylquinolin-8-ol
CID 23063822
3H-imidazo[4,5-f]quinoline-2-carboxamide
CID 142678216
5,7-dimethylquinolin-8-ol
CID 118341298
carbamoperoxoic acid;quinolin-8-ol
CID 175492056
methyl 5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 86280626

Frequently Asked Questions

What is the IUPAC name of ethane;8-hydroxy-5-hydroxysulfinothioyl-1,6-naphthyridine-7-carboxamide?
The IUPAC name of ethane;8-hydroxy-5-hydroxysulfinothioyl-1,6-naphthyridine-7-carboxamide (CID 142153192) is ethane;8-hydroxy-5-hydroxysulfinothioyl-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for ethane;8-hydroxy-5-hydroxysulfinothioyl-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for ethane;8-hydroxy-5-hydroxysulfinothioyl-1,6-naphthyridine-7-carboxamide is CC.NC(=O)c1nc(S(O)=S)c2cccnc2c1O.
What is the InChIKey of ethane;8-hydroxy-5-hydroxysulfinothioyl-1,6-naphthyridine-7-carboxamide?
The InChIKey is HCIBWGQVCMVWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3S2.C2H6/c10-8(14)6-7(13)5-4(2-1-3-11-5)9(12-6)17(15)16;1-2/h1-3,13H,(H2,10,14)(H,15,16);1-2H3.
What are the key properties of ethane;8-hydroxy-5-hydroxysulfinothioyl-1,6-naphthyridine-7-carboxamide?
ethane;8-hydroxy-5-hydroxysulfinothioyl-1,6-naphthyridine-7-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-hydroxy-5-hydroxysulfinothioyl-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 142153192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).