5-[(2,6-difluorophenyl)methylamino]-1-ethylpyridin-2-one

C14H14F2N2O — CID 54864001

IUPAC5-[(2,6-difluorophenyl)methylamino]-1-ethylpyridin-2-one
SMILESCCn1cc(NCc2c(F)cccc2F)ccc1=O
InChIInChI=1S/C14H14F2N2O/c1-2-18-9-10(6-7-14(18)19)17-8-11-12(15)4-3-5-13(11)16/h3-7,9,17H,2,8H2,1H3
InChIKeyIHSMEPVDQBRLDZ-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.76
Rot. Bonds4

About 5-[(2,6-difluorophenyl)methylamino]-1-ethylpyridin-2-one

5-[(2,6-difluorophenyl)methylamino]-1-ethylpyridin-2-one (PubChem CID 54864001) has the molecular formula C14H14F2N2O and a molecular weight of 264.27 g/mol. Its IUPAC name is 5-[(2,6-difluorophenyl)methylamino]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-[(2,6-difluorophenyl)methylamino]-1-ethylpyridin-2-one
PubChem CID54864001
Molecular FormulaC14H14F2N2O
Molecular Weight264.27 g/mol
Exact Mass264.11
IUPAC Name5-[(2,6-difluorophenyl)methylamino]-1-ethylpyridin-2-one
SMILESCCn1cc(NCc2c(F)cccc2F)ccc1=O
InChIInChI=1S/C14H14F2N2O/c1-2-18-9-10(6-7-14(18)19)17-8-11-12(15)4-3-5-13(11)16/h3-7,9,17H,2,8H2,1H3
InChIKeyIHSMEPVDQBRLDZ-UHFFFAOYSA-N
XLogP2.76
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenyl)methylamino]-1-ethylpyridin-2-one?
The IUPAC name of 5-[(2,6-difluorophenyl)methylamino]-1-ethylpyridin-2-one (CID 54864001) is 5-[(2,6-difluorophenyl)methylamino]-1-ethylpyridin-2-one.
What is the SMILES notation for 5-[(2,6-difluorophenyl)methylamino]-1-ethylpyridin-2-one?
The canonical SMILES for 5-[(2,6-difluorophenyl)methylamino]-1-ethylpyridin-2-one is CCn1cc(NCc2c(F)cccc2F)ccc1=O.
What is the InChIKey of 5-[(2,6-difluorophenyl)methylamino]-1-ethylpyridin-2-one?
The InChIKey is IHSMEPVDQBRLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-2-18-9-10(6-7-14(18)19)17-8-11-12(15)4-3-5-13(11)16/h3-7,9,17H,2,8H2,1H3.
What are the key properties of 5-[(2,6-difluorophenyl)methylamino]-1-ethylpyridin-2-one?
5-[(2,6-difluorophenyl)methylamino]-1-ethylpyridin-2-one has a molecular weight of 264.27 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluorophenyl)methylamino]-1-ethylpyridin-2-one is sourced from PubChem (CID 54864001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).