(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C15H18F3N3O3 — CID 95764724

IUPAC(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c(=O)[nH]1
InChIInChI=1S/C15H18F3N3O3/c1-8-3-9(2)20-14(24)11(8)5-19-13(23)10-4-12(22)21(6-10)7-15(16,17)18/h3,10H,4-7H2,1-2H3,(H,19,23)(H,20,24)/t10-/m0/s1
InChIKeyRZDGCOOBIVLMAF-JTQLQIEISA-N
MW345.32 g/mol
LogP1.02
Rot. Bonds4

About (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 95764724) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID95764724
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Name(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c(=O)[nH]1
InChIInChI=1S/C15H18F3N3O3/c1-8-3-9(2)20-14(24)11(8)5-19-13(23)10-4-12(22)21(6-10)7-15(16,17)18/h3,10H,4-7H2,1-2H3,(H,19,23)(H,20,24)/t10-/m0/s1
InChIKeyRZDGCOOBIVLMAF-JTQLQIEISA-N
XLogP1.02
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-3-[(2Z)-4,4,4-trifluoro-3-(pyrrolidin-1-yl)but-2-enoyl]pyridin-2(1H)-one
CID 6378801
N-(cyclopropylmethyl)-4,6-dimethyl-2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide
CID 71859348
2-methyl-6-oxo-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-1H-pyridine-4-carboxamide
CID 125136966
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 84558717
(3S,4S)-N-(1,4-dimethyl-6-oxopyridin-3-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120936993
N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]propanamide
CID 134340734
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 146323235
2-methyl-N-[[5-oxo-7-(trifluoromethyl)-3H-indolizin-6-yl]methyl]propanamide
CID 147686592
N-(1,4-dimethyl-6-oxo-3-pyridinyl)formamide;3-(trifluoromethyl)pyrrolidine
CID 153398096
6-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
CID 169148618
4,6-dimethyl-3-(4,4,4-trifluoro-3-pyrrolidin-1-ylbut-2-enoyl)-1H-pyridin-2-one
CID 4076701
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 39888642

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 95764724) is (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is Cc1cc(C)c(CNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c(=O)[nH]1.
What is the InChIKey of (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is RZDGCOOBIVLMAF-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18F3N3O3/c1-8-3-9(2)20-14(24)11(8)5-19-13(23)10-4-12(22)21(6-10)7-15(16,17)18/h3,10H,4-7H2,1-2H3,(H,19,23)(H,20,24)/t10-/m0/s1.
What are the key properties of (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 345.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 95764724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).