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

C20H16FN3O2S — CID 42647475

IUPACN-(4-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2)sc2c1C(c1cccnc1)CC(=O)N2
InChIInChI=1S/C20H16FN3O2S/c1-11-17-15(12-3-2-8-22-10-12)9-16(25)24-20(17)27-18(11)19(26)23-14-6-4-13(21)5-7-14/h2-8,10,15H,9H2,1H3,(H,23,26)(H,24,25)
InChIKeyMABILELETHAOHT-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.32
Rot. Bonds3

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

N-(4-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 42647475) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
PubChem CID42647475
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC NameN-(4-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2)sc2c1C(c1cccnc1)CC(=O)N2
InChIInChI=1S/C20H16FN3O2S/c1-11-17-15(12-3-2-8-22-10-12)9-16(25)24-20(17)27-18(11)19(26)23-14-6-4-13(21)5-7-14/h2-8,10,15H,9H2,1H3,(H,23,26)(H,24,25)
InChIKeyMABILELETHAOHT-UHFFFAOYSA-N
XLogP4.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (CID 42647475) is N-(4-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1C(c1cccnc1)CC(=O)N2.
What is the InChIKey of N-(4-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MABILELETHAOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c1-11-17-15(12-3-2-8-22-10-12)9-16(25)24-20(17)27-18(11)19(26)23-14-6-4-13(21)5-7-14/h2-8,10,15H,9H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-(4-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
N-(4-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 42647475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).