1-(6,7-diphenyl-1,5-naphthyridin-2-yl)-3-(2-hydroxybutyl)urea

C25H24N4O2 — CID 155589157

IUPAC1-(6,7-diphenyl-1,5-naphthyridin-2-yl)-3-(2-hydroxybutyl)urea
SMILESCCC(O)CNC(=O)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)cc2n1
InChIInChI=1S/C25H24N4O2/c1-2-19(30)16-26-25(31)29-23-14-13-21-22(27-23)15-20(17-9-5-3-6-10-17)24(28-21)18-11-7-4-8-12-18/h3-15,19,30H,2,16H2,1H3,(H2,26,27,29,31)
InChIKeyMHKKAAIVJUIBII-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.86
Rot. Bonds6

About 1-(6,7-diphenyl-1,5-naphthyridin-2-yl)-3-(2-hydroxybutyl)urea

1-(6,7-diphenyl-1,5-naphthyridin-2-yl)-3-(2-hydroxybutyl)urea (PubChem CID 155589157) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-(6,7-diphenyl-1,5-naphthyridin-2-yl)-3-(2-hydroxybutyl)urea.

Molecular Properties

Compound Name1-(6,7-diphenyl-1,5-naphthyridin-2-yl)-3-(2-hydroxybutyl)urea
PubChem CID155589157
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name1-(6,7-diphenyl-1,5-naphthyridin-2-yl)-3-(2-hydroxybutyl)urea
SMILESCCC(O)CNC(=O)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)cc2n1
InChIInChI=1S/C25H24N4O2/c1-2-19(30)16-26-25(31)29-23-14-13-21-22(27-23)15-20(17-9-5-3-6-10-17)24(28-21)18-11-7-4-8-12-18/h3-15,19,30H,2,16H2,1H3,(H2,26,27,29,31)
InChIKeyMHKKAAIVJUIBII-UHFFFAOYSA-N
XLogP4.86
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-diphenyl-1,5-naphthyridin-2-yl)-3-(2-hydroxybutyl)urea?
The IUPAC name of 1-(6,7-diphenyl-1,5-naphthyridin-2-yl)-3-(2-hydroxybutyl)urea (CID 155589157) is 1-(6,7-diphenyl-1,5-naphthyridin-2-yl)-3-(2-hydroxybutyl)urea.
What is the SMILES notation for 1-(6,7-diphenyl-1,5-naphthyridin-2-yl)-3-(2-hydroxybutyl)urea?
The canonical SMILES for 1-(6,7-diphenyl-1,5-naphthyridin-2-yl)-3-(2-hydroxybutyl)urea is CCC(O)CNC(=O)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)cc2n1.
What is the InChIKey of 1-(6,7-diphenyl-1,5-naphthyridin-2-yl)-3-(2-hydroxybutyl)urea?
The InChIKey is MHKKAAIVJUIBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-2-19(30)16-26-25(31)29-23-14-13-21-22(27-23)15-20(17-9-5-3-6-10-17)24(28-21)18-11-7-4-8-12-18/h3-15,19,30H,2,16H2,1H3,(H2,26,27,29,31).
What are the key properties of 1-(6,7-diphenyl-1,5-naphthyridin-2-yl)-3-(2-hydroxybutyl)urea?
1-(6,7-diphenyl-1,5-naphthyridin-2-yl)-3-(2-hydroxybutyl)urea has a molecular weight of 412.49 g/mol, XLogP of 4.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-diphenyl-1,5-naphthyridin-2-yl)-3-(2-hydroxybutyl)urea is sourced from PubChem (CID 155589157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).