pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone

C17H16F3N3O — CID 109225633

IUPACpyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
SMILESO=C(c1cncc(Nc2cccc(C(F)(F)F)c2)c1)N1CCCC1
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)13-4-3-5-14(9-13)22-15-8-12(10-21-11-15)16(24)23-6-1-2-7-23/h3-5,8-11,22H,1-2,6-7H2
InChIKeyUQBCPHFNCKTTBW-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.08
Rot. Bonds3

About pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone

pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone (PubChem CID 109225633) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
PubChem CID109225633
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Namepyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
SMILESO=C(c1cncc(Nc2cccc(C(F)(F)F)c2)c1)N1CCCC1
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)13-4-3-5-14(9-13)22-15-8-12(10-21-11-15)16(24)23-6-1-2-7-23/h3-5,8-11,22H,1-2,6-7H2
InChIKeyUQBCPHFNCKTTBW-UHFFFAOYSA-N
XLogP4.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylpiperidin-1-yl)-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109240749
[5-(3-bromoanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225656
[5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225687
piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109182660
N-tert-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109239319
pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone
CID 109273635
[5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226426
4-(azepane-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 109049168
N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109225638
[5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225614
N-(3-methylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109241871
N-(4-acetylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245736

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone?
The IUPAC name of pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone (CID 109225633) is pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone is O=C(c1cncc(Nc2cccc(C(F)(F)F)c2)c1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone?
The InChIKey is UQBCPHFNCKTTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c18-17(19,20)13-4-3-5-14(9-13)22-15-8-12(10-21-11-15)16(24)23-6-1-2-7-23/h3-5,8-11,22H,1-2,6-7H2.
What are the key properties of pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone?
pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone has a molecular weight of 335.33 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone is sourced from PubChem (CID 109225633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).