2,4,5-trimethyl-6-(N-phenylanilino)pyridin-3-ol

C20H20N2O — CID 71622657

IUPAC2,4,5-trimethyl-6-(N-phenylanilino)pyridin-3-ol
SMILESCc1nc(N(c2ccccc2)c2ccccc2)c(C)c(C)c1O
InChIInChI=1S/C20H20N2O/c1-14-15(2)20(21-16(3)19(14)23)22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,23H,1-3H3
InChIKeyQNPFVFXYPHSBPX-UHFFFAOYSA-N
MW304.39 g/mol
LogP5.18
Rot. Bonds3

About 2,4,5-trimethyl-6-(N-phenylanilino)pyridin-3-ol

2,4,5-trimethyl-6-(N-phenylanilino)pyridin-3-ol (PubChem CID 71622657) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 2,4,5-trimethyl-6-(N-phenylanilino)pyridin-3-ol.

Molecular Properties

Compound Name2,4,5-trimethyl-6-(N-phenylanilino)pyridin-3-ol
PubChem CID71622657
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name2,4,5-trimethyl-6-(N-phenylanilino)pyridin-3-ol
SMILESCc1nc(N(c2ccccc2)c2ccccc2)c(C)c(C)c1O
InChIInChI=1S/C20H20N2O/c1-14-15(2)20(21-16(3)19(14)23)22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,23H,1-3H3
InChIKeyQNPFVFXYPHSBPX-UHFFFAOYSA-N
XLogP5.18
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-6-(N-phenylanilino)pyridin-3-ol?
The IUPAC name of 2,4,5-trimethyl-6-(N-phenylanilino)pyridin-3-ol (CID 71622657) is 2,4,5-trimethyl-6-(N-phenylanilino)pyridin-3-ol.
What is the SMILES notation for 2,4,5-trimethyl-6-(N-phenylanilino)pyridin-3-ol?
The canonical SMILES for 2,4,5-trimethyl-6-(N-phenylanilino)pyridin-3-ol is Cc1nc(N(c2ccccc2)c2ccccc2)c(C)c(C)c1O.
What is the InChIKey of 2,4,5-trimethyl-6-(N-phenylanilino)pyridin-3-ol?
The InChIKey is QNPFVFXYPHSBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-14-15(2)20(21-16(3)19(14)23)22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,23H,1-3H3.
What are the key properties of 2,4,5-trimethyl-6-(N-phenylanilino)pyridin-3-ol?
2,4,5-trimethyl-6-(N-phenylanilino)pyridin-3-ol has a molecular weight of 304.39 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-6-(N-phenylanilino)pyridin-3-ol is sourced from PubChem (CID 71622657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).