3-[4-(1-aminocyclobutyl)phenyl]-8-methyl-2-phenylpyrano[2,3-c]pyridin-4-one

C25H22N2O2 — CID 67067831

IUPAC3-[4-(1-aminocyclobutyl)phenyl]-8-methyl-2-phenylpyrano[2,3-c]pyridin-4-one
SMILESCc1nccc2c(=O)c(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)oc12
InChIInChI=1S/C25H22N2O2/c1-16-23-20(12-15-27-16)22(28)21(24(29-23)18-6-3-2-4-7-18)17-8-10-19(11-9-17)25(26)13-5-14-25/h2-4,6-12,15H,5,13-14,26H2,1H3
InChIKeyRVRNPUPGBMTJNJ-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.17
Rot. Bonds3

About 3-[4-(1-aminocyclobutyl)phenyl]-8-methyl-2-phenylpyrano[2,3-c]pyridin-4-one

3-[4-(1-aminocyclobutyl)phenyl]-8-methyl-2-phenylpyrano[2,3-c]pyridin-4-one (PubChem CID 67067831) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-[4-(1-aminocyclobutyl)phenyl]-8-methyl-2-phenylpyrano[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name3-[4-(1-aminocyclobutyl)phenyl]-8-methyl-2-phenylpyrano[2,3-c]pyridin-4-one
PubChem CID67067831
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name3-[4-(1-aminocyclobutyl)phenyl]-8-methyl-2-phenylpyrano[2,3-c]pyridin-4-one
SMILESCc1nccc2c(=O)c(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)oc12
InChIInChI=1S/C25H22N2O2/c1-16-23-20(12-15-27-16)22(28)21(24(29-23)18-6-3-2-4-7-18)17-8-10-19(11-9-17)25(26)13-5-14-25/h2-4,6-12,15H,5,13-14,26H2,1H3
InChIKeyRVRNPUPGBMTJNJ-UHFFFAOYSA-N
XLogP5.17
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminocyclobutyl)phenyl]-8-methyl-2-phenylpyrano[2,3-c]pyridin-4-one?
The IUPAC name of 3-[4-(1-aminocyclobutyl)phenyl]-8-methyl-2-phenylpyrano[2,3-c]pyridin-4-one (CID 67067831) is 3-[4-(1-aminocyclobutyl)phenyl]-8-methyl-2-phenylpyrano[2,3-c]pyridin-4-one.
What is the SMILES notation for 3-[4-(1-aminocyclobutyl)phenyl]-8-methyl-2-phenylpyrano[2,3-c]pyridin-4-one?
The canonical SMILES for 3-[4-(1-aminocyclobutyl)phenyl]-8-methyl-2-phenylpyrano[2,3-c]pyridin-4-one is Cc1nccc2c(=O)c(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)oc12.
What is the InChIKey of 3-[4-(1-aminocyclobutyl)phenyl]-8-methyl-2-phenylpyrano[2,3-c]pyridin-4-one?
The InChIKey is RVRNPUPGBMTJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-16-23-20(12-15-27-16)22(28)21(24(29-23)18-6-3-2-4-7-18)17-8-10-19(11-9-17)25(26)13-5-14-25/h2-4,6-12,15H,5,13-14,26H2,1H3.
What are the key properties of 3-[4-(1-aminocyclobutyl)phenyl]-8-methyl-2-phenylpyrano[2,3-c]pyridin-4-one?
3-[4-(1-aminocyclobutyl)phenyl]-8-methyl-2-phenylpyrano[2,3-c]pyridin-4-one has a molecular weight of 382.46 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminocyclobutyl)phenyl]-8-methyl-2-phenylpyrano[2,3-c]pyridin-4-one is sourced from PubChem (CID 67067831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).