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

C20H16FN3O2S — CID 39047019

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

(4R)-N-(2-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 39047019) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is (4R)-N-(2-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: (4R)-N-(2-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 39047019
• Molecular Formula: C20H16FN3O2S
• Molecular Weight: 381.43 g/mol
• Exact Mass: 381.09
• IUPAC Name: (4R)-N-(2-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@@H](c1cccnc1)CC(=O)N2
• InChI: InChI=1S/C20H16FN3O2S/c1-11-17-13(12-5-4-8-22-10-12)9-16(25)24-20(17)27-18(11)19(26)23-15-7-3-2-6-14(15)21/h2-8,10,13H,9H2,1H3,(H,23,26)(H,24,25)/t13-/m1/s1
• InChIKey: ZFTOYVFEQFUOHZ-CYBMUJFWSA-N
• XLogP: 4.32
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.43
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(2-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of (4R)-N-(2-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (CID 39047019) is (4R)-N-(2-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 (4R)-N-(2-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for (4R)-N-(2-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@@H](c1cccnc1)CC(=O)N2.

What is the InChIKey of (4R)-N-(2-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is ZFTOYVFEQFUOHZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c1-11-17-13(12-5-4-8-22-10-12)9-16(25)24-20(17)27-18(11)19(26)23-15-7-3-2-6-14(15)21/h2-8,10,13H,9H2,1H3,(H,23,26)(H,24,25)/t13-/m1/s1.

What are the key properties of (4R)-N-(2-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?

(4R)-N-(2-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 (4R)-N-(2-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 39047019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).