(2-ethylpiperidin-1-yl)-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]methanone

C19H20F3N3O — CID 109161690

IUPAC(2-ethylpiperidin-1-yl)-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1ccc(Nc2ccc(F)c(F)c2F)nc1
InChIInChI=1S/C19H20F3N3O/c1-2-13-5-3-4-10-25(13)19(26)12-6-9-16(23-11-12)24-15-8-7-14(20)17(21)18(15)22/h6-9,11,13H,2-5,10H2,1H3,(H,23,24)
InChIKeyGFJMZSFIOAJGRQ-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.65
Rot. Bonds4

About (2-ethylpiperidin-1-yl)-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]methanone

(2-ethylpiperidin-1-yl)-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]methanone (PubChem CID 109161690) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]methanone
PubChem CID109161690
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name(2-ethylpiperidin-1-yl)-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1ccc(Nc2ccc(F)c(F)c2F)nc1
InChIInChI=1S/C19H20F3N3O/c1-2-13-5-3-4-10-25(13)19(26)12-6-9-16(23-11-12)24-15-8-7-14(20)17(21)18(15)22/h6-9,11,13H,2-5,10H2,1H3,(H,23,24)
InChIKeyGFJMZSFIOAJGRQ-UHFFFAOYSA-N
XLogP4.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[6-(ethylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 55042855
[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 97314114
(2-ethylpiperidin-1-yl)-[2-methyl-6-(2,3,4-trifluoroanilino)pyrimidin-4-yl]methanone
CID 112847284
(2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone
CID 104691838
ethyl 4-[[5-(2-ethylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzoate
CID 109161686
[6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109151990
(2-ethylpiperidin-1-yl)-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109158502
(2-ethylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
CID 63971232
[6-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 83061594
[6-(ethylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62165751
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2-ethylpiperidin-1-yl)-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]methanone
CID 113005782

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]methanone (CID 109161690) is (2-ethylpiperidin-1-yl)-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]methanone is CCC1CCCCN1C(=O)c1ccc(Nc2ccc(F)c(F)c2F)nc1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]methanone?
The InChIKey is GFJMZSFIOAJGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c1-2-13-5-3-4-10-25(13)19(26)12-6-9-16(23-11-12)24-15-8-7-14(20)17(21)18(15)22/h6-9,11,13H,2-5,10H2,1H3,(H,23,24).
What are the key properties of (2-ethylpiperidin-1-yl)-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]methanone?
(2-ethylpiperidin-1-yl)-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]methanone has a molecular weight of 363.38 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]methanone is sourced from PubChem (CID 109161690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).