1-(2,6-diphenyl-4-pyridinyl)-2-(dipropylamino)ethanol

C25H30N2O — CID 90669357

IUPAC1-(2,6-diphenyl-4-pyridinyl)-2-(dipropylamino)ethanol
SMILESCCCN(CCC)CC(O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1
InChIInChI=1S/C25H30N2O/c1-3-15-27(16-4-2)19-25(28)22-17-23(20-11-7-5-8-12-20)26-24(18-22)21-13-9-6-10-14-21/h5-14,17-18,25,28H,3-4,15-16,19H2,1-2H3
InChIKeyHBBSTCVRSBWCMO-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.57
Rot. Bonds9

About 1-(2,6-diphenyl-4-pyridinyl)-2-(dipropylamino)ethanol

1-(2,6-diphenyl-4-pyridinyl)-2-(dipropylamino)ethanol (PubChem CID 90669357) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-(2,6-diphenyl-4-pyridinyl)-2-(dipropylamino)ethanol.

Molecular Properties

Compound Name1-(2,6-diphenyl-4-pyridinyl)-2-(dipropylamino)ethanol
PubChem CID90669357
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name1-(2,6-diphenyl-4-pyridinyl)-2-(dipropylamino)ethanol
SMILESCCCN(CCC)CC(O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1
InChIInChI=1S/C25H30N2O/c1-3-15-27(16-4-2)19-25(28)22-17-23(20-11-7-5-8-12-20)26-24(18-22)21-13-9-6-10-14-21/h5-14,17-18,25,28H,3-4,15-16,19H2,1-2H3
InChIKeyHBBSTCVRSBWCMO-UHFFFAOYSA-N
XLogP5.57
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diphenyl-4-pyridinyl)-2-(dipropylamino)ethanol?
The IUPAC name of 1-(2,6-diphenyl-4-pyridinyl)-2-(dipropylamino)ethanol (CID 90669357) is 1-(2,6-diphenyl-4-pyridinyl)-2-(dipropylamino)ethanol.
What is the SMILES notation for 1-(2,6-diphenyl-4-pyridinyl)-2-(dipropylamino)ethanol?
The canonical SMILES for 1-(2,6-diphenyl-4-pyridinyl)-2-(dipropylamino)ethanol is CCCN(CCC)CC(O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1.
What is the InChIKey of 1-(2,6-diphenyl-4-pyridinyl)-2-(dipropylamino)ethanol?
The InChIKey is HBBSTCVRSBWCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-3-15-27(16-4-2)19-25(28)22-17-23(20-11-7-5-8-12-20)26-24(18-22)21-13-9-6-10-14-21/h5-14,17-18,25,28H,3-4,15-16,19H2,1-2H3.
What are the key properties of 1-(2,6-diphenyl-4-pyridinyl)-2-(dipropylamino)ethanol?
1-(2,6-diphenyl-4-pyridinyl)-2-(dipropylamino)ethanol has a molecular weight of 374.53 g/mol, XLogP of 5.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diphenyl-4-pyridinyl)-2-(dipropylamino)ethanol is sourced from PubChem (CID 90669357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).