1-[4-[6-(2,3-difluorobutyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-pyridinyl]ethanone

C19H21F2N3O — CID 155359405

IUPAC1-[4-[6-(2,3-difluorobutyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cc(-c2cnc3c(c2)CN(CC(F)C(C)F)CC3)ccn1
InChIInChI=1S/C19H21F2N3O/c1-12(20)17(21)11-24-6-4-18-16(10-24)7-15(9-23-18)14-3-5-22-19(8-14)13(2)25/h3,5,7-9,12,17H,4,6,10-11H2,1-2H3
InChIKeyFTVQJMQLPYTUAF-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.40
Rot. Bonds5

About 1-[4-[6-(2,3-difluorobutyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-pyridinyl]ethanone

1-[4-[6-(2,3-difluorobutyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-pyridinyl]ethanone (PubChem CID 155359405) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is 1-[4-[6-(2,3-difluorobutyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(2,3-difluorobutyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-pyridinyl]ethanone
PubChem CID155359405
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC Name1-[4-[6-(2,3-difluorobutyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cc(-c2cnc3c(c2)CN(CC(F)C(C)F)CC3)ccn1
InChIInChI=1S/C19H21F2N3O/c1-12(20)17(21)11-24-6-4-18-16(10-24)7-15(9-23-18)14-3-5-22-19(8-14)13(2)25/h3,5,7-9,12,17H,4,6,10-11H2,1-2H3
InChIKeyFTVQJMQLPYTUAF-UHFFFAOYSA-N
XLogP3.40
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(2,3-difluorobutyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[4-[6-(2,3-difluorobutyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-pyridinyl]ethanone (CID 155359405) is 1-[4-[6-(2,3-difluorobutyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[4-[6-(2,3-difluorobutyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[4-[6-(2,3-difluorobutyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-pyridinyl]ethanone is CC(=O)c1cc(-c2cnc3c(c2)CN(CC(F)C(C)F)CC3)ccn1.
What is the InChIKey of 1-[4-[6-(2,3-difluorobutyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-pyridinyl]ethanone?
The InChIKey is FTVQJMQLPYTUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c1-12(20)17(21)11-24-6-4-18-16(10-24)7-15(9-23-18)14-3-5-22-19(8-14)13(2)25/h3,5,7-9,12,17H,4,6,10-11H2,1-2H3.
What are the key properties of 1-[4-[6-(2,3-difluorobutyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-pyridinyl]ethanone?
1-[4-[6-(2,3-difluorobutyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-pyridinyl]ethanone has a molecular weight of 345.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(2,3-difluorobutyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-pyridinyl]ethanone is sourced from PubChem (CID 155359405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).