2-(diethylamino)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-one

C13H19FN2O — CID 104737892

IUPAC2-(diethylamino)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-one
SMILESCCN(CC)C(C)(C)C(=O)c1ccncc1F
InChIInChI=1S/C13H19FN2O/c1-5-16(6-2)13(3,4)12(17)10-7-8-15-9-11(10)14/h7-9H,5-6H2,1-4H3
InChIKeyHZXBFPMWUIFTHB-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.52
Rot. Bonds5

About 2-(diethylamino)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-one

2-(diethylamino)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-one (PubChem CID 104737892) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(diethylamino)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(diethylamino)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-one
PubChem CID104737892
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-(diethylamino)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-one
SMILESCCN(CC)C(C)(C)C(=O)c1ccncc1F
InChIInChI=1S/C13H19FN2O/c1-5-16(6-2)13(3,4)12(17)10-7-8-15-9-11(10)14/h7-9H,5-6H2,1-4H3
InChIKeyHZXBFPMWUIFTHB-UHFFFAOYSA-N
XLogP2.52
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-2-ethyl-1-(3-fluoro-4-pyridinyl)butan-1-one
CID 116747310
1-(3-fluoro-4-pyridinyl)-2-methyl-2-phenylpropan-1-one
CID 104737833
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide
CID 115646224
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
N-[1-(diethylamino)propan-2-yl]-3-fluoropyridine-4-carboxamide
CID 115646514
N-[2-[ethyl(propyl)amino]ethyl]-3-fluoropyridine-4-carboxamide
CID 113247671
1-(2,5-dichlorophenyl)-2-(diethylamino)-2-methylpropan-1-one
CID 79053041
N-cyclopentyl-N-ethyl-3-fluoropyridine-4-carboxamide
CID 115645775
1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599190
N-(2,2-dimethylheptyl)-3-fluoropyridine-4-carboxamide
CID 115686817
N-[3-(diethylamino)propyl]-N-ethyl-3-fluoropyridine-4-carboxamide
CID 102992706

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-one?
The IUPAC name of 2-(diethylamino)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-one (CID 104737892) is 2-(diethylamino)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(diethylamino)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-one?
The canonical SMILES for 2-(diethylamino)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-one is CCN(CC)C(C)(C)C(=O)c1ccncc1F.
What is the InChIKey of 2-(diethylamino)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-one?
The InChIKey is HZXBFPMWUIFTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-5-16(6-2)13(3,4)12(17)10-7-8-15-9-11(10)14/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-(diethylamino)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-one?
2-(diethylamino)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-one has a molecular weight of 238.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-one is sourced from PubChem (CID 104737892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).