2-ethyl-8-(4-fluoropiperidin-1-yl)-6-methyl-2,7-naphthyridin-1-one

C16H20FN3O — CID 25051609

IUPAC2-ethyl-8-(4-fluoropiperidin-1-yl)-6-methyl-2,7-naphthyridin-1-one
SMILESCCn1ccc2cc(C)nc(N3CCC(F)CC3)c2c1=O
InChIInChI=1S/C16H20FN3O/c1-3-19-7-4-12-10-11(2)18-15(14(12)16(19)21)20-8-5-13(17)6-9-20/h4,7,10,13H,3,5-6,8-9H2,1-2H3
InChIKeyNNYDMDRUUTUXPF-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.66
Rot. Bonds2

About 2-ethyl-8-(4-fluoropiperidin-1-yl)-6-methyl-2,7-naphthyridin-1-one

2-ethyl-8-(4-fluoropiperidin-1-yl)-6-methyl-2,7-naphthyridin-1-one (PubChem CID 25051609) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-ethyl-8-(4-fluoropiperidin-1-yl)-6-methyl-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-ethyl-8-(4-fluoropiperidin-1-yl)-6-methyl-2,7-naphthyridin-1-one
PubChem CID25051609
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name2-ethyl-8-(4-fluoropiperidin-1-yl)-6-methyl-2,7-naphthyridin-1-one
SMILESCCn1ccc2cc(C)nc(N3CCC(F)CC3)c2c1=O
InChIInChI=1S/C16H20FN3O/c1-3-19-7-4-12-10-11(2)18-15(14(12)16(19)21)20-8-5-13(17)6-9-20/h4,7,10,13H,3,5-6,8-9H2,1-2H3
InChIKeyNNYDMDRUUTUXPF-UHFFFAOYSA-N
XLogP2.66
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trifluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
CID 146420029
2-(4-Ethyl-phenylamino)-4,6-dimethyl-nicotinamide
CID 712047
5,7-dimethylpyrido[2,3-d]pyrimidin-4(3H)-one
CID 135408240
2-Amino-4,6-dimethylpyridine-3-carboxamide
CID 252216
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 16086899
2-(4-Fluoro-phenylamino)-4,6-dimethyl-nicotinamide
CID 686880
Tcmdc-123937
CID 317953
2-Butylamino-6-phenyl-4-trifluoromethyl-nicotinamide
CID 1904911
2-[(Anilinocarbonyl)amino]-4,6-dimethylnicotinamide
CID 4362481
2-({4-Hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one
CID 135412573
2-(3-Fluoro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one
CID 5468785
N-[(3-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-2-propyl-pyridine-3-carboxylic acid amide
CID 67286956

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-(4-fluoropiperidin-1-yl)-6-methyl-2,7-naphthyridin-1-one?
The IUPAC name of 2-ethyl-8-(4-fluoropiperidin-1-yl)-6-methyl-2,7-naphthyridin-1-one (CID 25051609) is 2-ethyl-8-(4-fluoropiperidin-1-yl)-6-methyl-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-ethyl-8-(4-fluoropiperidin-1-yl)-6-methyl-2,7-naphthyridin-1-one?
The canonical SMILES for 2-ethyl-8-(4-fluoropiperidin-1-yl)-6-methyl-2,7-naphthyridin-1-one is CCn1ccc2cc(C)nc(N3CCC(F)CC3)c2c1=O.
What is the InChIKey of 2-ethyl-8-(4-fluoropiperidin-1-yl)-6-methyl-2,7-naphthyridin-1-one?
The InChIKey is NNYDMDRUUTUXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-3-19-7-4-12-10-11(2)18-15(14(12)16(19)21)20-8-5-13(17)6-9-20/h4,7,10,13H,3,5-6,8-9H2,1-2H3.
What are the key properties of 2-ethyl-8-(4-fluoropiperidin-1-yl)-6-methyl-2,7-naphthyridin-1-one?
2-ethyl-8-(4-fluoropiperidin-1-yl)-6-methyl-2,7-naphthyridin-1-one has a molecular weight of 289.35 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-(4-fluoropiperidin-1-yl)-6-methyl-2,7-naphthyridin-1-one is sourced from PubChem (CID 25051609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).