pyrrolidin-1-yl-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone

C16H14F3N3O — CID 109181962

IUPACpyrrolidin-1-yl-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
SMILESO=C(c1ccc(Nc2ccc(F)c(F)c2F)cn1)N1CCCC1
InChIInChI=1S/C16H14F3N3O/c17-11-4-6-12(15(19)14(11)18)21-10-3-5-13(20-9-10)16(23)22-7-1-2-8-22/h3-6,9,21H,1-2,7-8H2
InChIKeyPDALIDFOEHYSTM-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.48
Rot. Bonds3

About pyrrolidin-1-yl-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone

pyrrolidin-1-yl-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone (PubChem CID 109181962) has the molecular formula C16H14F3N3O and a molecular weight of 321.30 g/mol. Its IUPAC name is pyrrolidin-1-yl-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
PubChem CID109181962
Molecular FormulaC16H14F3N3O
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC Namepyrrolidin-1-yl-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
SMILESO=C(c1ccc(Nc2ccc(F)c(F)c2F)cn1)N1CCCC1
InChIInChI=1S/C16H14F3N3O/c17-11-4-6-12(15(19)14(11)18)21-10-3-5-13(20-9-10)16(23)22-7-1-2-8-22/h3-6,9,21H,1-2,7-8H2
InChIKeyPDALIDFOEHYSTM-UHFFFAOYSA-N
XLogP3.48
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.48
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

(4-ethylpiperazin-1-yl)-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
CID 109186751
[5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182712
[5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181885
(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109181859
N-cycloheptyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109195345
[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181895
N-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109181915
azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone
CID 109196793
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109197490
N-(2,6-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109200969
[5-(2-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184658
azepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone
CID 109196768

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone?
The IUPAC name of pyrrolidin-1-yl-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone (CID 109181962) is pyrrolidin-1-yl-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone is O=C(c1ccc(Nc2ccc(F)c(F)c2F)cn1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone?
The InChIKey is PDALIDFOEHYSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O/c17-11-4-6-12(15(19)14(11)18)21-10-3-5-13(20-9-10)16(23)22-7-1-2-8-22/h3-6,9,21H,1-2,7-8H2.
What are the key properties of pyrrolidin-1-yl-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone?
pyrrolidin-1-yl-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone has a molecular weight of 321.30 g/mol, XLogP of 3.48, 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-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone is sourced from PubChem (CID 109181962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).