[3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone

C14H20FN3O — CID 115661606

IUPAC[3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
SMILESCCN(CC)C1CCN(C(=O)c2ccncc2F)C1
InChIInChI=1S/C14H20FN3O/c1-3-17(4-2)11-6-8-18(10-11)14(19)12-5-7-16-9-13(12)15/h5,7,9,11H,3-4,6,8,10H2,1-2H3
InChIKeyVFGHCPUWZCZFHX-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.78
Rot. Bonds4

About [3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone

[3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone (PubChem CID 115661606) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is [3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
PubChem CID115661606
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name[3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
SMILESCCN(CC)C1CCN(C(=O)c2ccncc2F)C1
InChIInChI=1S/C14H20FN3O/c1-3-17(4-2)11-6-8-18(10-11)14(19)12-5-7-16-9-13(12)15/h5,7,9,11H,3-4,6,8,10H2,1-2H3
InChIKeyVFGHCPUWZCZFHX-UHFFFAOYSA-N
XLogP1.78
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 81241912
(3-fluoro-4-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291522
[3-(chloromethyl)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64956102
[4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64950641
(3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124511893
(3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 115646202
(4-ethyl-3-methylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 115764496
(3-fluoro-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 64950699
(3-fluoro-4-pyridinyl)-[(1S,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 124854532
[3-(2-chloroethyl)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 114801323
1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 115646226
(2-amino-4,5-difluorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63168602

Frequently Asked Questions

What is the IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone?
The IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone (CID 115661606) is [3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for [3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone?
The canonical SMILES for [3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone is CCN(CC)C1CCN(C(=O)c2ccncc2F)C1.
What is the InChIKey of [3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone?
The InChIKey is VFGHCPUWZCZFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-3-17(4-2)11-6-8-18(10-11)14(19)12-5-7-16-9-13(12)15/h5,7,9,11H,3-4,6,8,10H2,1-2H3.
What are the key properties of [3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone?
[3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone has a molecular weight of 265.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 115661606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).