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

C23H31N5O4 — CID 22956140

IUPAC1-[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
SMILESCCC(c1ccc(OC)nc1)N1CCN(CCC(O)c2ccc3c(n2)NCCC3O)C1=O
InChIInChI=1S/C23H31N5O4/c1-3-18(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/h4-7,14,18-20,29-30H,3,8-13H2,1-2H3,(H,24,26)
InChIKeyCYCPSENJFWDAHW-UHFFFAOYSA-N
MW441.53 g/mol
LogP2.65
Rot. Bonds8

About 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

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 (PubChem CID 22956140) has the molecular formula C23H31N5O4 and a molecular weight of 441.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID22956140
Molecular FormulaC23H31N5O4
Molecular Weight441.53 g/mol
Exact Mass441.24
IUPAC Name1-[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
SMILESCCC(c1ccc(OC)nc1)N1CCN(CCC(O)c2ccc3c(n2)NCCC3O)C1=O
InChIInChI=1S/C23H31N5O4/c1-3-18(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/h4-7,14,18-20,29-30H,3,8-13H2,1-2H3,(H,24,26)
InChIKeyCYCPSENJFWDAHW-UHFFFAOYSA-N
XLogP2.65
TPSA111.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 22956140) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(c1ccc(OC)nc1)N1CCN(CCC(O)c2ccc3c(n2)NCCC3O)C1=O.
What is the InChIKey of 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?
The InChIKey is CYCPSENJFWDAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O4/c1-3-18(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/h4-7,14,18-20,29-30H,3,8-13H2,1-2H3,(H,24,26).
What are the key properties of 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?
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 has a molecular weight of 441.53 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 22956140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).