[2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone

C18H17F4N3O — CID 97077466

IUPAC[2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccnc1Nc1cccc(F)c1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C18H17F4N3O/c19-13-5-1-6-14(10-13)24-16-15(7-2-8-23-16)17(26)25-9-3-4-12(11-25)18(20,21)22/h1-2,5-8,10,12H,3-4,9,11H2,(H,23,24)/t12-/m1/s1
InChIKeyAFABITFFUBEHSY-GFCCVEGCSA-N
MW367.35 g/mol
LogP4.38
Rot. Bonds3

About [2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone

[2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 97077466) has the molecular formula C18H17F4N3O and a molecular weight of 367.35 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID97077466
Molecular FormulaC18H17F4N3O
Molecular Weight367.35 g/mol
Exact Mass367.13
IUPAC Name[2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccnc1Nc1cccc(F)c1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C18H17F4N3O/c19-13-5-1-6-14(10-13)24-16-15(7-2-8-23-16)17(26)25-9-3-4-12(11-25)18(20,21)22/h1-2,5-8,10,12H,3-4,9,11H2,(H,23,24)/t12-/m1/s1
InChIKeyAFABITFFUBEHSY-GFCCVEGCSA-N
XLogP4.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575323
[2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124594605
[(3S)-3-aminopyrrolidin-1-yl]-[2-(3-fluoroanilino)-3-pyridinyl]methanone
CID 124698734
[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125146750
[2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone
CID 166362766
[2-(3-fluoroanilino)-3-pyridinyl]-(4-phenoxypiperidin-1-yl)methanone
CID 86833930
4-[2-(3-fluoroanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-one
CID 75422007
ethyl N-[1-[2-[3-(trifluoromethyl)anilino]pyridine-3-carbonyl]piperidin-3-yl]carbamate
CID 55844206
(2-chloro-3-pyridinyl)-[(3R)-3-[2-(3-fluoroanilino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95094595
[2-(3-fluoroanilino)-3-pyridinyl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55955807
(3-methylpiperazin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 119576762
(2-amino-4-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63110249

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (CID 97077466) is [2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1cccnc1Nc1cccc(F)c1)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of [2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is AFABITFFUBEHSY-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17F4N3O/c19-13-5-1-6-14(10-13)24-16-15(7-2-8-23-16)17(26)25-9-3-4-12(11-25)18(20,21)22/h1-2,5-8,10,12H,3-4,9,11H2,(H,23,24)/t12-/m1/s1.
What are the key properties of [2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
[2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 367.35 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 97077466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).