3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid

C21H14N2O4S — CID 67533952

IUPAC3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1cccc(C(=O)c2c(C(=O)O)sc3c2ccc(=O)n3-c2ccccc2)n1
InChIInChI=1S/C21H14N2O4S/c1-12-6-5-9-15(22-12)18(25)17-14-10-11-16(24)23(13-7-3-2-4-8-13)20(14)28-19(17)21(26)27/h2-11H,1H3,(H,26,27)
InChIKeySWILSOJBWZGKCP-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.68
Rot. Bonds4

About 3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid

3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 67533952) has the molecular formula C21H14N2O4S and a molecular weight of 390.42 g/mol. Its IUPAC name is 3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID67533952
Molecular FormulaC21H14N2O4S
Molecular Weight390.42 g/mol
Exact Mass390.07
IUPAC Name3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1cccc(C(=O)c2c(C(=O)O)sc3c2ccc(=O)n3-c2ccccc2)n1
InChIInChI=1S/C21H14N2O4S/c1-12-6-5-9-15(22-12)18(25)17-14-10-11-16(24)23(13-7-3-2-4-8-13)20(14)28-19(17)21(26)27/h2-11H,1H3,(H,26,27)
InChIKeySWILSOJBWZGKCP-UHFFFAOYSA-N
XLogP3.68
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 141082039
ethyl 6-oxo-7-phenyl-3-[3-(trifluoromethyl)benzoyl]thieno[2,3-b]pyridine-2-carboxylate
CID 67531801
3-benzoyl-2-(morpholine-4-carbonyl)-7-phenylthieno[2,3-b]pyridin-6-one
CID 67532747
2-amino-3-(4-methylbenzoyl)-7-phenylthieno[2,3-b]pyridin-6-one
CID 67533006
6-oxo-7-phenyl-3-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 141070337
2-amino-3-benzoyl-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one
CID 67531139
lithium;3-(4-fluoro-3-methylanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid;hydride
CID 173035347
2-(4-methylpiperazine-1-carbonyl)-3,7-diphenylthieno[2,3-b]pyridin-6-one
CID 21083982
N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)-4-methylpiperazine-1-carboxamide
CID 67531475
7-(4-chlorophenyl)-3-ethyl-6-oxothieno[2,3-b]pyridine-2-carboxylic acid
CID 144939795
lithium;3-(2-cyanoanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid;hydride
CID 173035344
ethyl 3-(3-chlorophenyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 21084015

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid (CID 67533952) is 3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid is Cc1cccc(C(=O)c2c(C(=O)O)sc3c2ccc(=O)n3-c2ccccc2)n1.
What is the InChIKey of 3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is SWILSOJBWZGKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O4S/c1-12-6-5-9-15(22-12)18(25)17-14-10-11-16(24)23(13-7-3-2-4-8-13)20(14)28-19(17)21(26)27/h2-11H,1H3,(H,26,27).
What are the key properties of 3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid?
3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 390.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 67533952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).