1-(3,3-difluorocyclobutyl)-3-(propan-2-ylamino)pyridin-2-one

C12H16F2N2O — CID 137457388

IUPAC1-(3,3-difluorocyclobutyl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn(C2CC(F)(F)C2)c1=O
InChIInChI=1S/C12H16F2N2O/c1-8(2)15-10-4-3-5-16(11(10)17)9-6-12(13,14)7-9/h3-5,8-9,15H,6-7H2,1-2H3
InChIKeyHAJPVHYFBSTSDT-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.64
Rot. Bonds3

About 1-(3,3-difluorocyclobutyl)-3-(propan-2-ylamino)pyridin-2-one

1-(3,3-difluorocyclobutyl)-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 137457388) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-3-(propan-2-ylamino)pyridin-2-one
PubChem CID137457388
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name1-(3,3-difluorocyclobutyl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn(C2CC(F)(F)C2)c1=O
InChIInChI=1S/C12H16F2N2O/c1-8(2)15-10-4-3-5-16(11(10)17)9-6-12(13,14)7-9/h3-5,8-9,15H,6-7H2,1-2H3
InChIKeyHAJPVHYFBSTSDT-UHFFFAOYSA-N
XLogP2.64
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-3-(propan-2-ylamino)pyridin-2-one (CID 137457388) is 1-(3,3-difluorocyclobutyl)-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-3-(propan-2-ylamino)pyridin-2-one is CC(C)Nc1cccn(C2CC(F)(F)C2)c1=O.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is HAJPVHYFBSTSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-8(2)15-10-4-3-5-16(11(10)17)9-6-12(13,14)7-9/h3-5,8-9,15H,6-7H2,1-2H3.
What are the key properties of 1-(3,3-difluorocyclobutyl)-3-(propan-2-ylamino)pyridin-2-one?
1-(3,3-difluorocyclobutyl)-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 242.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 137457388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).