3-[3-[3-(5,7-dihydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;1-[3-hydroxy-3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-3-[1-(6-methoxy-3-pyridinyl)propyl]imidazolidin-2-one;3-[3-[3-hydroxy-3-(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid

C69H89N15O16 — CID 158036294

About 3-[3-[3-(5,7-dihydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;1-[3-hydroxy-3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-3-[1-(6-methoxy-3-pyridinyl)propyl]imidazolidin-2-one;3-[3-[3-hydroxy-3-(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid

3-[3-[3-(5,7-dihydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;1-[3-hydroxy-3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-3-[1-(6-methoxy-3-pyridinyl)propyl]imidazolidin-2-one;3-[3-[3-hydroxy-3-(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid (PubChem CID 158036294) has the molecular formula C69H89N15O16 and a molecular weight of 1384.56 g/mol. Its IUPAC name is 3-[3-[3-(5,7-dihydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;1-[3-hydroxy-3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-3-[1-(6-methoxy-3-pyridinyl)propyl]imidazolidin-2-one;3-[3-[3-hydroxy-3-(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid.

Molecular Properties

• Compound Name: 3-[3-[3-(5,7-dihydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;1-[3-hydroxy-3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-3-[1-(6-methoxy-3-pyridinyl)propyl]imidazolidin-2-one;3-[3-[3-hydroxy-3-(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid
• PubChem CID: 158036294
• Molecular Formula: C69H89N15O16
• Molecular Weight: 1384.56 g/mol
• Exact Mass: 1383.66
• IUPAC Name: 3-[3-[3-(5,7-dihydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;1-[3-hydroxy-3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-3-[1-(6-methoxy-3-pyridinyl)propyl]imidazolidin-2-one;3-[3-[3-hydroxy-3-(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid
• SMILES: CCC(c1ccc(OC)nc1)N1CCN(CCC(O)c2ccc3c(n2)NCCC3O)C1=O.COc1ccc(C(CC(=O)O)N2CCN(CCC(O)c3ccc4c(n3)NC(O)CC4)C2=O)cn1.COc1ccc(C(CC(=O)O)N2CCN(CCCc3ccc4c(n3)NC(O)CC4O)C2=O)cn1
• InChI: InChI=1S/2C23H29N5O6.C23H31N5O4/c1-34-20-7-4-15(13-24-20)17(12-21(31)32)28-11-10-27(23(28)33)9-8-18(29)16-5-2-14-3-6-19(30)26-22(14)25-16;1-34-20-7-4-14(13-24-20)17(11-21(31)32)28-10-9-27(23(28)33)8-2-3-15-5-6-16-18(29)12-19(30)26-22(16)25-15;1-3-18(15-4-7-21(32-2)25-14-15)28-13-12-27(23(28)31)11-9-20(30)17-6-5-16-19(29)8-10-24-22(16)26-17/h2,4-5,7,13,17-19,29-30H,3,6,8-12H2,1H3,(H,25,26)(H,31,32);4-7,13,17-19,29-30H,2-3,8-12H2,1H3,(H,25,26)(H,31,32);4-7,14,18-20,29-30H,3,8-13H2,1-2H3,(H,24,26)
• InChIKey: FHUBVABYQKPXIB-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 407.75 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 23
• Rotatable Bonds: 26
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1384.56
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(5,7-dihydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;1-[3-hydroxy-3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-3-[1-(6-methoxy-3-pyridinyl)propyl]imidazolidin-2-one;3-[3-[3-hydroxy-3-(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid?

The IUPAC name of 3-[3-[3-(5,7-dihydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;1-[3-hydroxy-3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-3-[1-(6-methoxy-3-pyridinyl)propyl]imidazolidin-2-one;3-[3-[3-hydroxy-3-(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid (CID 158036294) is 3-[3-[3-(5,7-dihydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;1-[3-hydroxy-3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-3-[1-(6-methoxy-3-pyridinyl)propyl]imidazolidin-2-one;3-[3-[3-hydroxy-3-(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid.

What is the SMILES notation for 3-[3-[3-(5,7-dihydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;1-[3-hydroxy-3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-3-[1-(6-methoxy-3-pyridinyl)propyl]imidazolidin-2-one;3-[3-[3-hydroxy-3-(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid?

The canonical SMILES for 3-[3-[3-(5,7-dihydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;1-[3-hydroxy-3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-3-[1-(6-methoxy-3-pyridinyl)propyl]imidazolidin-2-one;3-[3-[3-hydroxy-3-(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid is CCC(c1ccc(OC)nc1)N1CCN(CCC(O)c2ccc3c(n2)NCCC3O)C1=O.COc1ccc(C(CC(=O)O)N2CCN(CCC(O)c3ccc4c(n3)NC(O)CC4)C2=O)cn1.COc1ccc(C(CC(=O)O)N2CCN(CCCc3ccc4c(n3)NC(O)CC4O)C2=O)cn1.

What is the InChIKey of 3-[3-[3-(5,7-dihydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;1-[3-hydroxy-3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-3-[1-(6-methoxy-3-pyridinyl)propyl]imidazolidin-2-one;3-[3-[3-hydroxy-3-(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid?

The InChIKey is FHUBVABYQKPXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H29N5O6.C23H31N5O4/c1-34-20-7-4-15(13-24-20)17(12-21(31)32)28-11-10-27(23(28)33)9-8-18(29)16-5-2-14-3-6-19(30)26-22(14)25-16;1-34-20-7-4-14(13-24-20)17(11-21(31)32)28-10-9-27(23(28)33)8-2-3-15-5-6-16-18(29)12-19(30)26-22(16)25-15;1-3-18(15-4-7-21(32-2)25-14-15)28-13-12-27(23(28)31)11-9-20(30)17-6-5-16-19(29)8-10-24-22(16)26-17/h2,4-5,7,13,17-19,29-30H,3,6,8-12H2,1H3,(H,25,26)(H,31,32);4-7,13,17-19,29-30H,2-3,8-12H2,1H3,(H,25,26)(H,31,32);4-7,14,18-20,29-30H,3,8-13H2,1-2H3,(H,24,26).

What are the key properties of 3-[3-[3-(5,7-dihydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;1-[3-hydroxy-3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-3-[1-(6-methoxy-3-pyridinyl)propyl]imidazolidin-2-one;3-[3-[3-hydroxy-3-(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid?

3-[3-[3-(5,7-dihydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;1-[3-hydroxy-3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-3-[1-(6-methoxy-3-pyridinyl)propyl]imidazolidin-2-one;3-[3-[3-hydroxy-3-(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid has a molecular weight of 1384.56 g/mol, XLogP of 5.72, 26 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-(5,7-dihydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid;1-[3-hydroxy-3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-3-[1-(6-methoxy-3-pyridinyl)propyl]imidazolidin-2-one;3-[3-[3-hydroxy-3-(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-methoxy-3-pyridinyl)propanoic acid is sourced from PubChem (CID 158036294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).