5-[(1R,6S)-5-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide

C25H28N6O2 — CID 170056542

About 5-[(1R,6S)-5-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide

5-[(1R,6S)-5-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide (PubChem CID 170056542) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 5-[(1R,6S)-5-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(1R,6S)-5-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide
• PubChem CID: 170056542
• Molecular Formula: C25H28N6O2
• Molecular Weight: 444.54 g/mol
• Exact Mass: 444.23
• IUPAC Name: 5-[(1R,6S)-5-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide
• SMILES: CNC(=O)c1ccc(N2CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)[C@H]3CC[C@H]32)cn1
• InChI: InChI=1S/C25H28N6O2/c1-26-25(33)19-5-4-17(13-28-19)31-9-8-30(22-6-7-23(22)31)14-15-10-21-20(27-12-15)11-18(16-2-3-16)24(32)29-21/h4-5,10-13,16,22-23H,2-3,6-9,14H2,1H3,(H,26,33)(H,29,32)/t22-,23+/m0/s1
• InChIKey: CVEWKKYMSPEHGN-XZOQPEGZSA-N
• XLogP: 2.41
• TPSA: 94.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.54
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,6S)-5-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide?

The IUPAC name of 5-[(1R,6S)-5-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide (CID 170056542) is 5-[(1R,6S)-5-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 5-[(1R,6S)-5-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide?

The canonical SMILES for 5-[(1R,6S)-5-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)[C@H]3CC[C@H]32)cn1.

What is the InChIKey of 5-[(1R,6S)-5-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide?

The InChIKey is CVEWKKYMSPEHGN-XZOQPEGZSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-26-25(33)19-5-4-17(13-28-19)31-9-8-30(22-6-7-23(22)31)14-15-10-21-20(27-12-15)11-18(16-2-3-16)24(32)29-21/h4-5,10-13,16,22-23H,2-3,6-9,14H2,1H3,(H,26,33)(H,29,32)/t22-,23+/m0/s1.

What are the key properties of 5-[(1R,6S)-5-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide?

5-[(1R,6S)-5-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1R,6S)-5-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 170056542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).