3-(3-anilinopyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one

C17H16F3N3O2 — CID 154798042

IUPAC3-(3-anilinopyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCC(Nc2ccccc2)C1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)14-7-6-13(15(24)22-14)16(25)23-9-8-12(10-23)21-11-4-2-1-3-5-11/h1-7,12,21H,8-10H2,(H,22,24)
InChIKeyKDQBKVQXKJXUGO-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.72
Rot. Bonds3

About 3-(3-anilinopyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one

3-(3-anilinopyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 154798042) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 3-(3-anilinopyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-anilinopyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID154798042
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name3-(3-anilinopyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCC(Nc2ccccc2)C1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)14-7-6-13(15(24)22-14)16(25)23-9-8-12(10-23)21-11-4-2-1-3-5-11/h1-7,12,21H,8-10H2,(H,22,24)
InChIKeyKDQBKVQXKJXUGO-UHFFFAOYSA-N
XLogP2.72
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 63032313
3-(4-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 43416114
3-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 79403200
3-(3-hydroxyazetidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 63104545
3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride
CID 120748597
6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56862466
3-(3,5-dimethylpiperazine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 122147899
(3-anilinopyrrolidin-1-yl)-[3-(trifluoromethyl)-2-pyridinyl]methanone
CID 136519872
(3S,4S)-4-cyclopropyl-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 72898205
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 172646296
(3-anilinopyrrolidin-1-yl)-(5-benzyl-2-hydroxyphenyl)methanone
CID 56504216

Frequently Asked Questions

What is the IUPAC name of 3-(3-anilinopyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-anilinopyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 154798042) is 3-(3-anilinopyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-anilinopyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-anilinopyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one is O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCC(Nc2ccccc2)C1.
What is the InChIKey of 3-(3-anilinopyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is KDQBKVQXKJXUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c18-17(19,20)14-7-6-13(15(24)22-14)16(25)23-9-8-12(10-23)21-11-4-2-1-3-5-11/h1-7,12,21H,8-10H2,(H,22,24).
What are the key properties of 3-(3-anilinopyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
3-(3-anilinopyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 351.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-anilinopyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 154798042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).