N-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide

C15H17F3N4O2 — CID 167979722

IUPACN-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide
SMILESCN(C[C@@H]1CCC(=O)N1)C(=O)N1CCc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C15H17F3N4O2/c1-21(8-11-2-3-12(23)20-11)14(24)22-5-4-9-6-10(15(16,17)18)7-19-13(9)22/h6-7,11H,2-5,8H2,1H3,(H,20,23)/t11-/m0/s1
InChIKeyNORMSIQIPVSVBI-NSHDSACASA-N
MW342.32 g/mol
LogP1.79
Rot. Bonds2

About N-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide

N-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide (PubChem CID 167979722) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is N-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide
PubChem CID167979722
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC NameN-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide
SMILESCN(C[C@@H]1CCC(=O)N1)C(=O)N1CCc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C15H17F3N4O2/c1-21(8-11-2-3-12(23)20-11)14(24)22-5-4-9-6-10(15(16,17)18)7-19-13(9)22/h6-7,11H,2-5,8H2,1H3,(H,20,23)/t11-/m0/s1
InChIKeyNORMSIQIPVSVBI-NSHDSACASA-N
XLogP1.79
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-((3S,5S)-5-((S)-2-cyanopyrrolidine-1-carbonyl)pyrrolidin-3-ylamino)nicotinonitrile
CID 44400445
6-[(3R,5S)-5-((S)-2-Cyano-pyrrolidine-1-carbonyl)-pyrrolidin-3-ylamino]-nicotinonitrile
CID 44400450
cis-(3,3-difluoropyrrolidin-1-yl)((2S,4S)-4-(4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565871
cis-2-(4-((3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl)piperazin-1-yl)nicotinonitrile
CID 44565872
(2S)-N-[(2S)-1-[(2S)-2-(anilinomethyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 73443116
N-[(3S)-1-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]-3,3-difluoro-N-methylcyclobutane-1-carboxamide
CID 146430161
(2S)-N-[(2S)-1-[(2S)-2-[(dimethylcarbamoylamino)methyl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 73777101
(2S)-2-(methylamino)-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(phenylcarbamoylamino)methyl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]butan-2-yl]propanamide
CID 73777103
methyl N-[[(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]methyl]carbamate
CID 73777124
(2S)-N-[(2S)-1-[(2S)-2-(acetamidomethyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 117888130
(2S)-2-(methylamino)-N-[(2S)-3-methyl-1-[(2S)-2-[(methylcarbamoylamino)methyl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-1-oxobutan-2-yl]propanamide
CID 117888137
US11014912, Example 45
CID 141757237

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?
The IUPAC name of N-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide (CID 167979722) is N-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide.
What is the SMILES notation for N-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?
The canonical SMILES for N-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide is CN(C[C@@H]1CCC(=O)N1)C(=O)N1CCc2cc(C(F)(F)F)cnc21.
What is the InChIKey of N-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?
The InChIKey is NORMSIQIPVSVBI-NSHDSACASA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-21(8-11-2-3-12(23)20-11)14(24)22-5-4-9-6-10(15(16,17)18)7-19-13(9)22/h6-7,11H,2-5,8H2,1H3,(H,20,23)/t11-/m0/s1.
What are the key properties of N-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?
N-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 167979722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).