6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide

C28H28FN3O2 — CID 45227348

About 6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide

6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide (PubChem CID 45227348) has the molecular formula C28H28FN3O2 and a molecular weight of 457.55 g/mol. Its IUPAC name is 6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide
• PubChem CID: 45227348
• Molecular Formula: C28H28FN3O2
• Molecular Weight: 457.55 g/mol
• Exact Mass: 457.22
• IUPAC Name: 6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide
• SMILES: O=C(NC1CCCc2ccccc21)c1ccc(CN2CC=C(c3ccc(F)cc3)CC2)[nH]c1=O
• InChI: InChI=1S/C28H28FN3O2/c29-22-10-8-19(9-11-22)20-14-16-32(17-15-20)18-23-12-13-25(27(33)30-23)28(34)31-26-7-3-5-21-4-1-2-6-24(21)26/h1-2,4,6,8-14,26H,3,5,7,15-18H2,(H,30,33)(H,31,34)
• InChIKey: CRJDKUNZFULTJH-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 65.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.55
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide?

The IUPAC name of 6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide (CID 45227348) is 6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide.

What is the SMILES notation for 6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide?

The canonical SMILES for 6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide is O=C(NC1CCCc2ccccc21)c1ccc(CN2CC=C(c3ccc(F)cc3)CC2)[nH]c1=O.

What is the InChIKey of 6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide?

The InChIKey is CRJDKUNZFULTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O2/c29-22-10-8-19(9-11-22)20-14-16-32(17-15-20)18-23-12-13-25(27(33)30-23)28(34)31-26-7-3-5-21-4-1-2-6-24(21)26/h1-2,4,6,8-14,26H,3,5,7,15-18H2,(H,30,33)(H,31,34).

What are the key properties of 6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide?

6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 45227348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).