3-amino-5-cyclopropyl-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]pyridin-2-one

C15H21F2N3O — CID 164559960

IUPAC3-amino-5-cyclopropyl-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]pyridin-2-one
SMILESNc1cc(C2CC2)cn(CCCN2CCC(F)(F)C2)c1=O
InChIInChI=1S/C15H21F2N3O/c16-15(17)4-7-19(10-15)5-1-6-20-9-12(11-2-3-11)8-13(18)14(20)21/h8-9,11H,1-7,10,18H2
InChIKeyHXDQYGIEMQQEOR-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.04
Rot. Bonds5

About 3-amino-5-cyclopropyl-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]pyridin-2-one

3-amino-5-cyclopropyl-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]pyridin-2-one (PubChem CID 164559960) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-amino-5-cyclopropyl-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-cyclopropyl-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]pyridin-2-one
PubChem CID164559960
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name3-amino-5-cyclopropyl-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]pyridin-2-one
SMILESNc1cc(C2CC2)cn(CCCN2CCC(F)(F)C2)c1=O
InChIInChI=1S/C15H21F2N3O/c16-15(17)4-7-19(10-15)5-1-6-20-9-12(11-2-3-11)8-13(18)14(20)21/h8-9,11H,1-7,10,18H2
InChIKeyHXDQYGIEMQQEOR-UHFFFAOYSA-N
XLogP2.04
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-cyclopropyl-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]pyridin-2-one?
The IUPAC name of 3-amino-5-cyclopropyl-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]pyridin-2-one (CID 164559960) is 3-amino-5-cyclopropyl-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]pyridin-2-one.
What is the SMILES notation for 3-amino-5-cyclopropyl-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]pyridin-2-one?
The canonical SMILES for 3-amino-5-cyclopropyl-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]pyridin-2-one is Nc1cc(C2CC2)cn(CCCN2CCC(F)(F)C2)c1=O.
What is the InChIKey of 3-amino-5-cyclopropyl-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]pyridin-2-one?
The InChIKey is HXDQYGIEMQQEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c16-15(17)4-7-19(10-15)5-1-6-20-9-12(11-2-3-11)8-13(18)14(20)21/h8-9,11H,1-7,10,18H2.
What are the key properties of 3-amino-5-cyclopropyl-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]pyridin-2-one?
3-amino-5-cyclopropyl-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]pyridin-2-one has a molecular weight of 297.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-cyclopropyl-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]pyridin-2-one is sourced from PubChem (CID 164559960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).