4-hydroxy-2-oxo-N-[(4-phenoxyphenyl)methyl]-1H-thieno[3,4-b]pyridine-3-carboxamide

C21H16N2O4S — CID 58024570

IUPAC4-hydroxy-2-oxo-N-[(4-phenoxyphenyl)methyl]-1H-thieno[3,4-b]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Oc2ccccc2)cc1)c1c(O)c2cscc2[nH]c1=O
InChIInChI=1S/C21H16N2O4S/c24-19-16-11-28-12-17(16)23-21(26)18(19)20(25)22-10-13-6-8-15(9-7-13)27-14-4-2-1-3-5-14/h1-9,11-12,24H,10H2,(H,22,25)(H,23,26)
InChIKeyVKLKGGABFMKDED-UHFFFAOYSA-N
MW392.44 g/mol
LogP4.02
Rot. Bonds5

About 4-hydroxy-2-oxo-N-[(4-phenoxyphenyl)methyl]-1H-thieno[3,4-b]pyridine-3-carboxamide

4-hydroxy-2-oxo-N-[(4-phenoxyphenyl)methyl]-1H-thieno[3,4-b]pyridine-3-carboxamide (PubChem CID 58024570) has the molecular formula C21H16N2O4S and a molecular weight of 392.44 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-[(4-phenoxyphenyl)methyl]-1H-thieno[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-[(4-phenoxyphenyl)methyl]-1H-thieno[3,4-b]pyridine-3-carboxamide
PubChem CID58024570
Molecular FormulaC21H16N2O4S
Molecular Weight392.44 g/mol
Exact Mass392.08
IUPAC Name4-hydroxy-2-oxo-N-[(4-phenoxyphenyl)methyl]-1H-thieno[3,4-b]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Oc2ccccc2)cc1)c1c(O)c2cscc2[nH]c1=O
InChIInChI=1S/C21H16N2O4S/c24-19-16-11-28-12-17(16)23-21(26)18(19)20(25)22-10-13-6-8-15(9-7-13)27-14-4-2-1-3-5-14/h1-9,11-12,24H,10H2,(H,22,25)(H,23,26)
InChIKeyVKLKGGABFMKDED-UHFFFAOYSA-N
XLogP4.02
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 54684670
4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 54706702
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
CID 54682420
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
7-hydroxy-N-[(3-methoxyphenyl)methyl]-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 54733597
N-[(4-phenoxyphenyl)methyl]butanamide
CID 155214759
N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide
CID 110793747
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499
2-oxo-3-(4-phenoxyphenyl)sulfanyl-1H-quinoline-4-carboxylic acid
CID 139572427
2-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
CID 166443266
7-hydroxy-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 54733602
2-oxo-N-[(4-phenoxyphenyl)methyl]acetamide
CID 115166211

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N-[(4-phenoxyphenyl)methyl]-1H-thieno[3,4-b]pyridine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-[(4-phenoxyphenyl)methyl]-1H-thieno[3,4-b]pyridine-3-carboxamide (CID 58024570) is 4-hydroxy-2-oxo-N-[(4-phenoxyphenyl)methyl]-1H-thieno[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-[(4-phenoxyphenyl)methyl]-1H-thieno[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-[(4-phenoxyphenyl)methyl]-1H-thieno[3,4-b]pyridine-3-carboxamide is O=C(NCc1ccc(Oc2ccccc2)cc1)c1c(O)c2cscc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-oxo-N-[(4-phenoxyphenyl)methyl]-1H-thieno[3,4-b]pyridine-3-carboxamide?
The InChIKey is VKLKGGABFMKDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4S/c24-19-16-11-28-12-17(16)23-21(26)18(19)20(25)22-10-13-6-8-15(9-7-13)27-14-4-2-1-3-5-14/h1-9,11-12,24H,10H2,(H,22,25)(H,23,26).
What are the key properties of 4-hydroxy-2-oxo-N-[(4-phenoxyphenyl)methyl]-1H-thieno[3,4-b]pyridine-3-carboxamide?
4-hydroxy-2-oxo-N-[(4-phenoxyphenyl)methyl]-1H-thieno[3,4-b]pyridine-3-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-[(4-phenoxyphenyl)methyl]-1H-thieno[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 58024570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).