3-amino-6-cyclobutyl-2,5,8-triphenylpyrano[2,3-c]pyridin-4-one

C30H24N2O2 — CID 67068048

IUPAC3-amino-6-cyclobutyl-2,5,8-triphenylpyrano[2,3-c]pyridin-4-one
SMILESNc1c(-c2ccccc2)oc2c(-c3ccccc3)nc(C3CCC3)c(-c3ccccc3)c2c1=O
InChIInChI=1S/C30H24N2O2/c31-25-28(33)24-23(19-11-4-1-5-12-19)26(20-17-10-18-20)32-27(21-13-6-2-7-14-21)30(24)34-29(25)22-15-8-3-9-16-22/h1-9,11-16,20H,10,17-18,31H2
InChIKeyGMXKXEVWBDOEHM-UHFFFAOYSA-N
MW444.53 g/mol
LogP7.04
Rot. Bonds4

About 3-amino-6-cyclobutyl-2,5,8-triphenylpyrano[2,3-c]pyridin-4-one

3-amino-6-cyclobutyl-2,5,8-triphenylpyrano[2,3-c]pyridin-4-one (PubChem CID 67068048) has the molecular formula C30H24N2O2 and a molecular weight of 444.53 g/mol. Its IUPAC name is 3-amino-6-cyclobutyl-2,5,8-triphenylpyrano[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name3-amino-6-cyclobutyl-2,5,8-triphenylpyrano[2,3-c]pyridin-4-one
PubChem CID67068048
Molecular FormulaC30H24N2O2
Molecular Weight444.53 g/mol
Exact Mass444.18
IUPAC Name3-amino-6-cyclobutyl-2,5,8-triphenylpyrano[2,3-c]pyridin-4-one
SMILESNc1c(-c2ccccc2)oc2c(-c3ccccc3)nc(C3CCC3)c(-c3ccccc3)c2c1=O
InChIInChI=1S/C30H24N2O2/c31-25-28(33)24-23(19-11-4-1-5-12-19)26(20-17-10-18-20)32-27(21-13-6-2-7-14-21)30(24)34-29(25)22-15-8-3-9-16-22/h1-9,11-16,20H,10,17-18,31H2
InChIKeyGMXKXEVWBDOEHM-UHFFFAOYSA-N
XLogP7.04
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-cyclobutyl-2,5,8-triphenylpyrano[2,3-c]pyridin-4-one?
The IUPAC name of 3-amino-6-cyclobutyl-2,5,8-triphenylpyrano[2,3-c]pyridin-4-one (CID 67068048) is 3-amino-6-cyclobutyl-2,5,8-triphenylpyrano[2,3-c]pyridin-4-one.
What is the SMILES notation for 3-amino-6-cyclobutyl-2,5,8-triphenylpyrano[2,3-c]pyridin-4-one?
The canonical SMILES for 3-amino-6-cyclobutyl-2,5,8-triphenylpyrano[2,3-c]pyridin-4-one is Nc1c(-c2ccccc2)oc2c(-c3ccccc3)nc(C3CCC3)c(-c3ccccc3)c2c1=O.
What is the InChIKey of 3-amino-6-cyclobutyl-2,5,8-triphenylpyrano[2,3-c]pyridin-4-one?
The InChIKey is GMXKXEVWBDOEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O2/c31-25-28(33)24-23(19-11-4-1-5-12-19)26(20-17-10-18-20)32-27(21-13-6-2-7-14-21)30(24)34-29(25)22-15-8-3-9-16-22/h1-9,11-16,20H,10,17-18,31H2.
What are the key properties of 3-amino-6-cyclobutyl-2,5,8-triphenylpyrano[2,3-c]pyridin-4-one?
3-amino-6-cyclobutyl-2,5,8-triphenylpyrano[2,3-c]pyridin-4-one has a molecular weight of 444.53 g/mol, XLogP of 7.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-cyclobutyl-2,5,8-triphenylpyrano[2,3-c]pyridin-4-one is sourced from PubChem (CID 67068048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).