methyl 4-methyl-5-oxo-2-phenylthieno[3,2-b]pyridine-7-carboxylate

C16H13NO3S — CID 10780490

IUPACmethyl 4-methyl-5-oxo-2-phenylthieno[3,2-b]pyridine-7-carboxylate
SMILESCOC(=O)c1cc(=O)n(C)c2cc(-c3ccccc3)sc12
InChIInChI=1S/C16H13NO3S/c1-17-12-9-13(10-6-4-3-5-7-10)21-15(12)11(8-14(17)18)16(19)20-2/h3-9H,1-2H3
InChIKeyNCARENFHBPQZJW-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.05
Rot. Bonds2

About methyl 4-methyl-5-oxo-2-phenylthieno[3,2-b]pyridine-7-carboxylate

methyl 4-methyl-5-oxo-2-phenylthieno[3,2-b]pyridine-7-carboxylate (PubChem CID 10780490) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is methyl 4-methyl-5-oxo-2-phenylthieno[3,2-b]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-5-oxo-2-phenylthieno[3,2-b]pyridine-7-carboxylate
PubChem CID10780490
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Namemethyl 4-methyl-5-oxo-2-phenylthieno[3,2-b]pyridine-7-carboxylate
SMILESCOC(=O)c1cc(=O)n(C)c2cc(-c3ccccc3)sc12
InChIInChI=1S/C16H13NO3S/c1-17-12-9-13(10-6-4-3-5-7-10)21-15(12)11(8-14(17)18)16(19)20-2/h3-9H,1-2H3
InChIKeyNCARENFHBPQZJW-UHFFFAOYSA-N
XLogP3.05
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 13297283
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methyl 2-chloro-1-methyl-6-oxo-4-(1-phenylethenyl)pyridine-3-carboxylate
CID 165386452
methyl 2-amino-1-methyl-6-oxo-4-(1-phenylethenyl)pyridine-3-carboxylate
CID 165394428
methyl 2-[[(2S)-2-acetyloxy-2-phenylacetyl]amino]-5-phenylthiophene-3-carboxylate
CID 1187070
methyl 2-[[(2R,6R)-2,6-dimethylpiperidine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate
CID 40595730
methyl 7-oxo-5-phenyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-2-carboxylate
CID 10935568
methyl 5-phenyl-2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)thiophene-3-carboxylate
CID 19177862
2-[2-(2-methoxycarbonyl-5-phenylthiophen-3-yl)acetyl]benzoic acid
CID 58390695
methyl 2-[(2-methyl-3-nitrobenzoyl)amino]-5-phenylthiophene-3-carboxylate
CID 1020943
methyl 2-(cycloheptylcarbamothioylamino)-5-phenylthiophene-3-carboxylate
CID 19650488
ethyl 2-(3-chlorophenyl)-5-hydroxy-4-methylthieno[3,2-b]pyrrole-6-carboxylate
CID 135481181

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-5-oxo-2-phenylthieno[3,2-b]pyridine-7-carboxylate?
The IUPAC name of methyl 4-methyl-5-oxo-2-phenylthieno[3,2-b]pyridine-7-carboxylate (CID 10780490) is methyl 4-methyl-5-oxo-2-phenylthieno[3,2-b]pyridine-7-carboxylate.
What is the SMILES notation for methyl 4-methyl-5-oxo-2-phenylthieno[3,2-b]pyridine-7-carboxylate?
The canonical SMILES for methyl 4-methyl-5-oxo-2-phenylthieno[3,2-b]pyridine-7-carboxylate is COC(=O)c1cc(=O)n(C)c2cc(-c3ccccc3)sc12.
What is the InChIKey of methyl 4-methyl-5-oxo-2-phenylthieno[3,2-b]pyridine-7-carboxylate?
The InChIKey is NCARENFHBPQZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c1-17-12-9-13(10-6-4-3-5-7-10)21-15(12)11(8-14(17)18)16(19)20-2/h3-9H,1-2H3.
What are the key properties of methyl 4-methyl-5-oxo-2-phenylthieno[3,2-b]pyridine-7-carboxylate?
methyl 4-methyl-5-oxo-2-phenylthieno[3,2-b]pyridine-7-carboxylate has a molecular weight of 299.35 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-5-oxo-2-phenylthieno[3,2-b]pyridine-7-carboxylate is sourced from PubChem (CID 10780490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).