2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-8H-pyrano[3,4-b]pyridin-5-one

C24H22N2O2 — CID 53261732

IUPAC2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-8H-pyrano[3,4-b]pyridin-5-one
SMILESNC1(c2ccc(-c3nc4c(cc3-c3ccccc3)C(=O)COC4)cc2)CCC1
InChIInChI=1S/C24H22N2O2/c25-24(11-4-12-24)18-9-7-17(8-10-18)23-19(16-5-2-1-3-6-16)13-20-21(26-23)14-28-15-22(20)27/h1-3,5-10,13H,4,11-12,14-15,25H2
InChIKeyZOMDGORASNQGTF-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.47
Rot. Bonds3

About 2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-8H-pyrano[3,4-b]pyridin-5-one

2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-8H-pyrano[3,4-b]pyridin-5-one (PubChem CID 53261732) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-8H-pyrano[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-8H-pyrano[3,4-b]pyridin-5-one
PubChem CID53261732
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-8H-pyrano[3,4-b]pyridin-5-one
SMILESNC1(c2ccc(-c3nc4c(cc3-c3ccccc3)C(=O)COC4)cc2)CCC1
InChIInChI=1S/C24H22N2O2/c25-24(11-4-12-24)18-9-7-17(8-10-18)23-19(16-5-2-1-3-6-16)13-20-21(26-23)14-28-15-22(20)27/h1-3,5-10,13H,4,11-12,14-15,25H2
InChIKeyZOMDGORASNQGTF-UHFFFAOYSA-N
XLogP4.47
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-8H-pyrano[3,4-b]pyridin-5-one?
The IUPAC name of 2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-8H-pyrano[3,4-b]pyridin-5-one (CID 53261732) is 2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-8H-pyrano[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-8H-pyrano[3,4-b]pyridin-5-one?
The canonical SMILES for 2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-8H-pyrano[3,4-b]pyridin-5-one is NC1(c2ccc(-c3nc4c(cc3-c3ccccc3)C(=O)COC4)cc2)CCC1.
What is the InChIKey of 2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-8H-pyrano[3,4-b]pyridin-5-one?
The InChIKey is ZOMDGORASNQGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c25-24(11-4-12-24)18-9-7-17(8-10-18)23-19(16-5-2-1-3-6-16)13-20-21(26-23)14-28-15-22(20)27/h1-3,5-10,13H,4,11-12,14-15,25H2.
What are the key properties of 2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-8H-pyrano[3,4-b]pyridin-5-one?
2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-8H-pyrano[3,4-b]pyridin-5-one has a molecular weight of 370.45 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-8H-pyrano[3,4-b]pyridin-5-one is sourced from PubChem (CID 53261732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).