5-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-5-oxopentanamide

C17H20F2N2O2 — CID 100634605

IUPAC5-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-5-oxopentanamide
SMILESCNC(=O)CCCC(=O)N1CC=C(c2c(F)cccc2F)CC1
InChIInChI=1S/C17H20F2N2O2/c1-20-15(22)6-3-7-16(23)21-10-8-12(9-11-21)17-13(18)4-2-5-14(17)19/h2,4-5,8H,3,6-7,9-11H2,1H3,(H,20,22)
InChIKeyUBUSASFPEQHLOT-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.50
Rot. Bonds5

About 5-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-5-oxopentanamide

5-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-5-oxopentanamide (PubChem CID 100634605) has the molecular formula C17H20F2N2O2 and a molecular weight of 322.36 g/mol. Its IUPAC name is 5-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name5-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-5-oxopentanamide
PubChem CID100634605
Molecular FormulaC17H20F2N2O2
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name5-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-5-oxopentanamide
SMILESCNC(=O)CCCC(=O)N1CC=C(c2c(F)cccc2F)CC1
InChIInChI=1S/C17H20F2N2O2/c1-20-15(22)6-3-7-16(23)21-10-8-12(9-11-21)17-13(18)4-2-5-14(17)19/h2,4-5,8H,3,6-7,9-11H2,1H3,(H,20,22)
InChIKeyUBUSASFPEQHLOT-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-[2-fluoro-6-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 118483528
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,6-difluorobenzoate
CID 9203305
N-methyl-5-[(2R)-2-(3-methylphenyl)azepan-1-yl]-5-oxopentanamide
CID 99698305
4-(2-methyl-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 10316372
N-(2,6-dimethylphenyl)-2-[2,4-dioxo-3-[4-oxo-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazolin-1-yl]acetamide
CID 46247598
2-chloro-1-[4-(2,3-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 165486572
N-methyl-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 119131233
ethane;N-methyl-5-(4-methylpiperidin-1-yl)-5-oxopentanamide
CID 145076984
3,4-difluoro-N-[3-oxo-3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide
CID 42281256
1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-one
CID 24676138
2-chloro-N-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzamide
CID 18129615
ethyl 4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 6622349

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-5-oxopentanamide?
The IUPAC name of 5-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-5-oxopentanamide (CID 100634605) is 5-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-5-oxopentanamide.
What is the SMILES notation for 5-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-5-oxopentanamide?
The canonical SMILES for 5-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-5-oxopentanamide is CNC(=O)CCCC(=O)N1CC=C(c2c(F)cccc2F)CC1.
What is the InChIKey of 5-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-5-oxopentanamide?
The InChIKey is UBUSASFPEQHLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2/c1-20-15(22)6-3-7-16(23)21-10-8-12(9-11-21)17-13(18)4-2-5-14(17)19/h2,4-5,8H,3,6-7,9-11H2,1H3,(H,20,22).
What are the key properties of 5-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-5-oxopentanamide?
5-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-5-oxopentanamide has a molecular weight of 322.36 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 100634605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).