3-[3-[4-[8-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]phenyl]-2-oxoazetidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid

C34H34N4O5 — CID 134500415

About 3-[3-[4-[8-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]phenyl]-2-oxoazetidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid

3-[3-[4-[8-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]phenyl]-2-oxoazetidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid (PubChem CID 134500415) has the molecular formula C34H34N4O5 and a molecular weight of 578.67 g/mol. Its IUPAC name is 3-[3-[4-[8-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]phenyl]-2-oxoazetidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid.

Molecular Properties

• Compound Name: 3-[3-[4-[8-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]phenyl]-2-oxoazetidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid
• PubChem CID: 134500415
• Molecular Formula: C34H34N4O5
• Molecular Weight: 578.67 g/mol
• Exact Mass: 578.25
• IUPAC Name: 3-[3-[4-[8-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]phenyl]-2-oxoazetidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid
• SMILES: COc1ccc(CN2CCCc3ccc(-c4ccc(C5CN(C(CC(=O)O)c6ccc(OC)nc6)C5=O)cc4)nc32)cc1
• InChI: InChI=1S/C34H34N4O5/c1-42-27-13-5-22(6-14-27)20-37-17-3-4-25-11-15-29(36-33(25)37)24-9-7-23(8-10-24)28-21-38(34(28)41)30(18-32(39)40)26-12-16-31(43-2)35-19-26/h5-16,19,28,30H,3-4,17-18,20-21H2,1-2H3,(H,39,40)
• InChIKey: BQCAKYBRBDEVFA-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 105.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.67
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[8-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]phenyl]-2-oxoazetidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid?

The IUPAC name of 3-[3-[4-[8-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]phenyl]-2-oxoazetidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid (CID 134500415) is 3-[3-[4-[8-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]phenyl]-2-oxoazetidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid.

What is the SMILES notation for 3-[3-[4-[8-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]phenyl]-2-oxoazetidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid?

The canonical SMILES for 3-[3-[4-[8-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]phenyl]-2-oxoazetidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid is COc1ccc(CN2CCCc3ccc(-c4ccc(C5CN(C(CC(=O)O)c6ccc(OC)nc6)C5=O)cc4)nc32)cc1.

What is the InChIKey of 3-[3-[4-[8-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]phenyl]-2-oxoazetidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid?

The InChIKey is BQCAKYBRBDEVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O5/c1-42-27-13-5-22(6-14-27)20-37-17-3-4-25-11-15-29(36-33(25)37)24-9-7-23(8-10-24)28-21-38(34(28)41)30(18-32(39)40)26-12-16-31(43-2)35-19-26/h5-16,19,28,30H,3-4,17-18,20-21H2,1-2H3,(H,39,40).

What are the key properties of 3-[3-[4-[8-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]phenyl]-2-oxoazetidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid?

3-[3-[4-[8-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]phenyl]-2-oxoazetidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid has a molecular weight of 578.67 g/mol, XLogP of 5.26, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-[8-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]phenyl]-2-oxoazetidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid is sourced from PubChem (CID 134500415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).