4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-cyclopropylpyrrolidin-2-one

C13H13ClF3N3O — CID 133357415

IUPAC4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-cyclopropylpyrrolidin-2-one
SMILESO=C1CC(Nc2ncc(C(F)(F)F)cc2Cl)CN1C1CC1
InChIInChI=1S/C13H13ClF3N3O/c14-10-3-7(13(15,16)17)5-18-12(10)19-8-4-11(21)20(6-8)9-1-2-9/h3,5,8-9H,1-2,4,6H2,(H,18,19)
InChIKeyCLLIUSZIGINCDH-UHFFFAOYSA-N
MW319.71 g/mol
LogP2.93
Rot. Bonds3

About 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-cyclopropylpyrrolidin-2-one

4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-cyclopropylpyrrolidin-2-one (PubChem CID 133357415) has the molecular formula C13H13ClF3N3O and a molecular weight of 319.71 g/mol. Its IUPAC name is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-cyclopropylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-cyclopropylpyrrolidin-2-one
PubChem CID133357415
Molecular FormulaC13H13ClF3N3O
Molecular Weight319.71 g/mol
Exact Mass319.07
IUPAC Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-cyclopropylpyrrolidin-2-one
SMILESO=C1CC(Nc2ncc(C(F)(F)F)cc2Cl)CN1C1CC1
InChIInChI=1S/C13H13ClF3N3O/c14-10-3-7(13(15,16)17)5-18-12(10)19-8-4-11(21)20(6-8)9-1-2-9/h3,5,8-9H,1-2,4,6H2,(H,18,19)
InChIKeyCLLIUSZIGINCDH-UHFFFAOYSA-N
XLogP2.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.71
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-propan-2-ylpyrrolidin-2-one
CID 52515382
(3S)-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 32643192
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 28548311
3-chloro-N-(1-oxothian-4-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 115886614
3-chloro-N-(3-methylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 113248032
3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 47054431
3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60712371
3-chloro-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133311648
3-chloro-N-(2-methylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 43081784
cis-(1S,2R)-2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,2-diamine
CID 93453945
(1S,5R)-8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-one
CID 125116837
4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one
CID 133357473

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-cyclopropylpyrrolidin-2-one?
The IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-cyclopropylpyrrolidin-2-one (CID 133357415) is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-cyclopropylpyrrolidin-2-one.
What is the SMILES notation for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-cyclopropylpyrrolidin-2-one?
The canonical SMILES for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-cyclopropylpyrrolidin-2-one is O=C1CC(Nc2ncc(C(F)(F)F)cc2Cl)CN1C1CC1.
What is the InChIKey of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-cyclopropylpyrrolidin-2-one?
The InChIKey is CLLIUSZIGINCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3O/c14-10-3-7(13(15,16)17)5-18-12(10)19-8-4-11(21)20(6-8)9-1-2-9/h3,5,8-9H,1-2,4,6H2,(H,18,19).
What are the key properties of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-cyclopropylpyrrolidin-2-one?
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-cyclopropylpyrrolidin-2-one has a molecular weight of 319.71 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-cyclopropylpyrrolidin-2-one is sourced from PubChem (CID 133357415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).