6-oxo-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide

C21H20N2O2S — CID 31981369

About 6-oxo-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide

6-oxo-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide (PubChem CID 31981369) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 6-oxo-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-oxo-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide
• PubChem CID: 31981369
• Molecular Formula: C21H20N2O2S
• Molecular Weight: 364.47 g/mol
• Exact Mass: 364.12
• IUPAC Name: 6-oxo-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide
• SMILES: O=C(N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ccc(=O)[nH]c1
• InChI: InChI=1S/C21H20N2O2S/c24-19-10-9-17(13-22-19)21(25)23-20(18-6-3-11-26-18)16-8-7-14-4-1-2-5-15(14)12-16/h3,6-13,20H,1-2,4-5H2,(H,22,24)(H,23,25)/t20-/m1/s1
• InChIKey: MMZSITLSVIUBNQ-HXUWFJFHSA-N
• XLogP: 3.83
• TPSA: 61.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.47
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide?

The IUPAC name of 6-oxo-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide (CID 31981369) is 6-oxo-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide.

What is the SMILES notation for 6-oxo-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide?

The canonical SMILES for 6-oxo-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide is O=C(N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ccc(=O)[nH]c1.

What is the InChIKey of 6-oxo-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide?

The InChIKey is MMZSITLSVIUBNQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20N2O2S/c24-19-10-9-17(13-22-19)21(25)23-20(18-6-3-11-26-18)16-8-7-14-4-1-2-5-15(14)12-16/h3,6-13,20H,1-2,4-5H2,(H,22,24)(H,23,25)/t20-/m1/s1.

What are the key properties of 6-oxo-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide?

6-oxo-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-oxo-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 31981369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).