2-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)amino]-2-[4-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-4-yl]acetic acid

C25H33N7O6 — CID 142419147

About 2-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)amino]-2-[4-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-4-yl]acetic acid

2-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)amino]-2-[4-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-4-yl]acetic acid (PubChem CID 142419147) has the molecular formula C25H33N7O6 and a molecular weight of 527.58 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)amino]-2-[4-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-4-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)amino]-2-[4-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-4-yl]acetic acid
• PubChem CID: 142419147
• Molecular Formula: C25H33N7O6
• Molecular Weight: 527.58 g/mol
• Exact Mass: 527.25
• IUPAC Name: 2-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)amino]-2-[4-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-4-yl]acetic acid
• SMILES: O=C(NC(C(=O)O)C1(O)CCN(C(=O)NCCCc2ccc3c(n2)NCCC3)CC1)c1nnc(C2CC2)o1
• InChI: InChI=1S/C25H33N7O6/c33-20(22-31-30-21(38-22)16-5-6-16)29-18(23(34)35)25(37)9-13-32(14-10-25)24(36)27-12-2-4-17-8-7-15-3-1-11-26-19(15)28-17/h7-8,16,18,37H,1-6,9-14H2,(H,26,28)(H,27,36)(H,29,33)(H,34,35)
• InChIKey: KKWKTABTGYMFCA-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 182.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.58
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)amino]-2-[4-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-4-yl]acetic acid?

The IUPAC name of 2-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)amino]-2-[4-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-4-yl]acetic acid (CID 142419147) is 2-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)amino]-2-[4-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-4-yl]acetic acid.

What is the SMILES notation for 2-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)amino]-2-[4-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-4-yl]acetic acid?

The canonical SMILES for 2-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)amino]-2-[4-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-4-yl]acetic acid is O=C(NC(C(=O)O)C1(O)CCN(C(=O)NCCCc2ccc3c(n2)NCCC3)CC1)c1nnc(C2CC2)o1.

What is the InChIKey of 2-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)amino]-2-[4-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-4-yl]acetic acid?

The InChIKey is KKWKTABTGYMFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O6/c33-20(22-31-30-21(38-22)16-5-6-16)29-18(23(34)35)25(37)9-13-32(14-10-25)24(36)27-12-2-4-17-8-7-15-3-1-11-26-19(15)28-17/h7-8,16,18,37H,1-6,9-14H2,(H,26,28)(H,27,36)(H,29,33)(H,34,35).

What are the key properties of 2-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)amino]-2-[4-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-4-yl]acetic acid?

2-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)amino]-2-[4-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-4-yl]acetic acid has a molecular weight of 527.58 g/mol, XLogP of 1.05, 9 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)amino]-2-[4-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 142419147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).