3-[3-[3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-oxo-1H-pyridin-3-yl)propanoic acid

C22H27N5O5 — CID 154699679

IUPAC3-[3-[3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-oxo-1H-pyridin-3-yl)propanoic acid
SMILESO=C(O)CC(c1ccc(=O)[nH]c1)N1CCN(CCCc2ccc3c(n2)NCCC3O)C1=O
InChIInChI=1S/C22H27N5O5/c28-18-7-8-23-21-16(18)5-4-15(25-21)2-1-9-26-10-11-27(22(26)32)17(12-20(30)31)14-3-6-19(29)24-13-14/h3-6,13,17-18,28H,1-2,7-12H2,(H,23,25)(H,24,29)(H,30,31)
InChIKeyIKASYDCFWNCNOM-UHFFFAOYSA-N
MW441.49 g/mol
LogP1.51
Rot. Bonds8

About 3-[3-[3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-oxo-1H-pyridin-3-yl)propanoic acid

3-[3-[3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-oxo-1H-pyridin-3-yl)propanoic acid (PubChem CID 154699679) has the molecular formula C22H27N5O5 and a molecular weight of 441.49 g/mol. Its IUPAC name is 3-[3-[3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-oxo-1H-pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-[3-[3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-oxo-1H-pyridin-3-yl)propanoic acid
PubChem CID154699679
Molecular FormulaC22H27N5O5
Molecular Weight441.49 g/mol
Exact Mass441.20
IUPAC Name3-[3-[3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-oxo-1H-pyridin-3-yl)propanoic acid
SMILESO=C(O)CC(c1ccc(=O)[nH]c1)N1CCN(CCCc2ccc3c(n2)NCCC3O)C1=O
InChIInChI=1S/C22H27N5O5/c28-18-7-8-23-21-16(18)5-4-15(25-21)2-1-9-26-10-11-27(22(26)32)17(12-20(30)31)14-3-6-19(29)24-13-14/h3-6,13,17-18,28H,1-2,7-12H2,(H,23,25)(H,24,29)(H,30,31)
InChIKeyIKASYDCFWNCNOM-UHFFFAOYSA-N
XLogP1.51
TPSA138.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-oxo-1H-pyridin-3-yl)propanoic acid?
The IUPAC name of 3-[3-[3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-oxo-1H-pyridin-3-yl)propanoic acid (CID 154699679) is 3-[3-[3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-oxo-1H-pyridin-3-yl)propanoic acid.
What is the SMILES notation for 3-[3-[3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-oxo-1H-pyridin-3-yl)propanoic acid?
The canonical SMILES for 3-[3-[3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-oxo-1H-pyridin-3-yl)propanoic acid is O=C(O)CC(c1ccc(=O)[nH]c1)N1CCN(CCCc2ccc3c(n2)NCCC3O)C1=O.
What is the InChIKey of 3-[3-[3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-oxo-1H-pyridin-3-yl)propanoic acid?
The InChIKey is IKASYDCFWNCNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O5/c28-18-7-8-23-21-16(18)5-4-15(25-21)2-1-9-26-10-11-27(22(26)32)17(12-20(30)31)14-3-6-19(29)24-13-14/h3-6,13,17-18,28H,1-2,7-12H2,(H,23,25)(H,24,29)(H,30,31).
What are the key properties of 3-[3-[3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-oxo-1H-pyridin-3-yl)propanoic acid?
3-[3-[3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-oxo-1H-pyridin-3-yl)propanoic acid has a molecular weight of 441.49 g/mol, XLogP of 1.51, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-(6-oxo-1H-pyridin-3-yl)propanoic acid is sourced from PubChem (CID 154699679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).