6-[[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]pyridine-3-carboxylic acid

C28H30N4O5 — CID 134528877

About 6-[[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]pyridine-3-carboxylic acid

6-[[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]pyridine-3-carboxylic acid (PubChem CID 134528877) has the molecular formula C28H30N4O5 and a molecular weight of 502.57 g/mol. Its IUPAC name is 6-[[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]pyridine-3-carboxylic acid
• PubChem CID: 134528877
• Molecular Formula: C28H30N4O5
• Molecular Weight: 502.57 g/mol
• Exact Mass: 502.22
• IUPAC Name: 6-[[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]pyridine-3-carboxylic acid
• SMILES: Cc1ccccc1-c1noc(C2CC2)c1COC1CC2CCC(C1)N2C(=O)Nc1ccc(C(=O)O)cn1
• InChI: InChI=1S/C28H30N4O5/c1-16-4-2-3-5-22(16)25-23(26(37-31-25)17-6-7-17)15-36-21-12-19-9-10-20(13-21)32(19)28(35)30-24-11-8-18(14-29-24)27(33)34/h2-5,8,11,14,17,19-21H,6-7,9-10,12-13,15H2,1H3,(H,33,34)(H,29,30,35)
• InChIKey: GCNWCWBRNHCXIA-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 117.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.57
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]pyridine-3-carboxylic acid?

The IUPAC name of 6-[[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]pyridine-3-carboxylic acid (CID 134528877) is 6-[[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]pyridine-3-carboxylic acid.

What is the SMILES notation for 6-[[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]pyridine-3-carboxylic acid?

The canonical SMILES for 6-[[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]pyridine-3-carboxylic acid is Cc1ccccc1-c1noc(C2CC2)c1COC1CC2CCC(C1)N2C(=O)Nc1ccc(C(=O)O)cn1.

What is the InChIKey of 6-[[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]pyridine-3-carboxylic acid?

The InChIKey is GCNWCWBRNHCXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O5/c1-16-4-2-3-5-22(16)25-23(26(37-31-25)17-6-7-17)15-36-21-12-19-9-10-20(13-21)32(19)28(35)30-24-11-8-18(14-29-24)27(33)34/h2-5,8,11,14,17,19-21H,6-7,9-10,12-13,15H2,1H3,(H,33,34)(H,29,30,35).

What are the key properties of 6-[[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]pyridine-3-carboxylic acid?

6-[[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]pyridine-3-carboxylic acid has a molecular weight of 502.57 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 134528877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).