N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide

C17H15F4N3O2 — CID 91005801

IUPACN-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(-n2ccccc2=O)cc1F)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C17H15F4N3O2/c18-13-9-12(24-7-2-1-3-15(24)25)4-5-14(13)22-16(26)23-8-6-11(10-23)17(19,20)21/h1-5,7,9,11H,6,8,10H2,(H,22,26)
InChIKeyUAEQQTALKZIMEP-UHFFFAOYSA-N
MW369.32 g/mol
LogP3.39
Rot. Bonds2

About N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide

N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 91005801) has the molecular formula C17H15F4N3O2 and a molecular weight of 369.32 g/mol. Its IUPAC name is N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID91005801
Molecular FormulaC17H15F4N3O2
Molecular Weight369.32 g/mol
Exact Mass369.11
IUPAC NameN-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(-n2ccccc2=O)cc1F)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C17H15F4N3O2/c18-13-9-12(24-7-2-1-3-15(24)25)4-5-14(13)22-16(26)23-8-6-11(10-23)17(19,20)21/h1-5,7,9,11H,6,8,10H2,(H,22,26)
InChIKeyUAEQQTALKZIMEP-UHFFFAOYSA-N
XLogP3.39
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1-carboxamide
CID 58748279
trans-(1S,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid
CID 66882265
(1R,3S,4S)-3-amino-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1-carboxamide
CID 68687455
tert-butyl (3R,4R)-3-acetyl-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 59800163
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
(4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide
CID 173100301
(1S,3S,4S)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1,3-dicarboxamide
CID 68686788
methyl (3R,4R)-1-(2,2-difluoroethyl)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate
CID 59800165
(1S,3S,4S)-3-amino-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1-carboxamide
CID 68686790
2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylic acid
CID 141145339
(1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide
CID 11677142
2-[(2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide
CID 68647235

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 91005801) is N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide is O=C(Nc1ccc(-n2ccccc2=O)cc1F)N1CCC(C(F)(F)F)C1.
What is the InChIKey of N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is UAEQQTALKZIMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N3O2/c18-13-9-12(24-7-2-1-3-15(24)25)4-5-14(13)22-16(26)23-8-6-11(10-23)17(19,20)21/h1-5,7,9,11H,6,8,10H2,(H,22,26).
What are the key properties of N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 369.32 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 91005801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).