3-(2,2-difluoropropylamino)-4-methyl-1-propan-2-ylpyridin-2-one

C12H18F2N2O — CID 159723529

IUPAC3-(2,2-difluoropropylamino)-4-methyl-1-propan-2-ylpyridin-2-one
SMILESCc1ccn(C(C)C)c(=O)c1NCC(C)(F)F
InChIInChI=1S/C12H18F2N2O/c1-8(2)16-6-5-9(3)10(11(16)17)15-7-12(4,13)14/h5-6,8,15H,7H2,1-4H3
InChIKeyIRJYNJQHPUWBHN-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.80
Rot. Bonds4

About 3-(2,2-difluoropropylamino)-4-methyl-1-propan-2-ylpyridin-2-one

3-(2,2-difluoropropylamino)-4-methyl-1-propan-2-ylpyridin-2-one (PubChem CID 159723529) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 3-(2,2-difluoropropylamino)-4-methyl-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(2,2-difluoropropylamino)-4-methyl-1-propan-2-ylpyridin-2-one
PubChem CID159723529
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name3-(2,2-difluoropropylamino)-4-methyl-1-propan-2-ylpyridin-2-one
SMILESCc1ccn(C(C)C)c(=O)c1NCC(C)(F)F
InChIInChI=1S/C12H18F2N2O/c1-8(2)16-6-5-9(3)10(11(16)17)15-7-12(4,13)14/h5-6,8,15H,7H2,1-4H3
InChIKeyIRJYNJQHPUWBHN-UHFFFAOYSA-N
XLogP2.80
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoropropylamino)-4-methyl-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-(2,2-difluoropropylamino)-4-methyl-1-propan-2-ylpyridin-2-one (CID 159723529) is 3-(2,2-difluoropropylamino)-4-methyl-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-(2,2-difluoropropylamino)-4-methyl-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-(2,2-difluoropropylamino)-4-methyl-1-propan-2-ylpyridin-2-one is Cc1ccn(C(C)C)c(=O)c1NCC(C)(F)F.
What is the InChIKey of 3-(2,2-difluoropropylamino)-4-methyl-1-propan-2-ylpyridin-2-one?
The InChIKey is IRJYNJQHPUWBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-8(2)16-6-5-9(3)10(11(16)17)15-7-12(4,13)14/h5-6,8,15H,7H2,1-4H3.
What are the key properties of 3-(2,2-difluoropropylamino)-4-methyl-1-propan-2-ylpyridin-2-one?
3-(2,2-difluoropropylamino)-4-methyl-1-propan-2-ylpyridin-2-one has a molecular weight of 244.28 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoropropylamino)-4-methyl-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 159723529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).