1-(2,4-difluorophenyl)-7-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide

C33H38F2N4O3 — CID 155237080

About 1-(2,4-difluorophenyl)-7-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide

1-(2,4-difluorophenyl)-7-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 155237080) has the molecular formula C33H38F2N4O3 and a molecular weight of 576.69 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-7-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,4-difluorophenyl)-7-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 155237080
• Molecular Formula: C33H38F2N4O3
• Molecular Weight: 576.69 g/mol
• Exact Mass: 576.29
• IUPAC Name: 1-(2,4-difluorophenyl)-7-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: CC1(NC(=O)c2cn(-c3ccc(F)cc3F)c3nc(N4CCCC(CCO)C4)ccc3c2=O)CC2CC3CC(C1)C3C2
• InChI: InChI=1S/C33H38F2N4O3/c1-33(15-20-11-21-13-22(16-33)25(21)12-20)37-32(42)26-18-39(28-6-4-23(34)14-27(28)35)31-24(30(26)41)5-7-29(36-31)38-9-2-3-19(17-38)8-10-40/h4-7,14,18-22,25,40H,2-3,8-13,15-17H2,1H3,(H,37,42)
• InChIKey: SPWCMPIFDZUFDD-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 87.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.69
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-7-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 1-(2,4-difluorophenyl)-7-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide (CID 155237080) is 1-(2,4-difluorophenyl)-7-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-(2,4-difluorophenyl)-7-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 1-(2,4-difluorophenyl)-7-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide is CC1(NC(=O)c2cn(-c3ccc(F)cc3F)c3nc(N4CCCC(CCO)C4)ccc3c2=O)CC2CC3CC(C1)C3C2.

What is the InChIKey of 1-(2,4-difluorophenyl)-7-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is SPWCMPIFDZUFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38F2N4O3/c1-33(15-20-11-21-13-22(16-33)25(21)12-20)37-32(42)26-18-39(28-6-4-23(34)14-27(28)35)31-24(30(26)41)5-7-29(36-31)38-9-2-3-19(17-38)8-10-40/h4-7,14,18-22,25,40H,2-3,8-13,15-17H2,1H3,(H,37,42).

What are the key properties of 1-(2,4-difluorophenyl)-7-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide?

1-(2,4-difluorophenyl)-7-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 576.69 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,4-difluorophenyl)-7-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 155237080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).