N-(4-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

C21H17FN2O3S — CID 42647466

IUPACN-(4-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2)sc2c1C(c1cccc(O)c1)CC(=O)N2
InChIInChI=1S/C21H17FN2O3S/c1-11-18-16(12-3-2-4-15(25)9-12)10-17(26)24-21(18)28-19(11)20(27)23-14-7-5-13(22)6-8-14/h2-9,16,25H,10H2,1H3,(H,23,27)(H,24,26)
InChIKeyGNYJRGQYOVIBHZ-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.63
Rot. Bonds3

About N-(4-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

N-(4-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 42647466) has the molecular formula C21H17FN2O3S and a molecular weight of 396.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
PubChem CID42647466
Molecular FormulaC21H17FN2O3S
Molecular Weight396.44 g/mol
Exact Mass396.09
IUPAC NameN-(4-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2)sc2c1C(c1cccc(O)c1)CC(=O)N2
InChIInChI=1S/C21H17FN2O3S/c1-11-18-16(12-3-2-4-15(25)9-12)10-17(26)24-21(18)28-19(11)20(27)23-14-7-5-13(22)6-8-14/h2-9,16,25H,10H2,1H3,(H,23,27)(H,24,26)
InChIKeyGNYJRGQYOVIBHZ-UHFFFAOYSA-N
XLogP4.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (CID 42647466) is N-(4-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1C(c1cccc(O)c1)CC(=O)N2.
What is the InChIKey of N-(4-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is GNYJRGQYOVIBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3S/c1-11-18-16(12-3-2-4-15(25)9-12)10-17(26)24-21(18)28-19(11)20(27)23-14-7-5-13(22)6-8-14/h2-9,16,25H,10H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-(4-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
N-(4-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 4.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 42647466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).