(3S,4S)-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H17F3N4O3 — CID 120963475

IUPAC(3S,4S)-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN1C[C@@H](C(F)(F)F)[C@H](C(=O)Nc2cn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C13H17F3N4O3/c1-18-4-7(8(5-18)13(14,15)16)10(21)17-9-6-19(2)12(23)20(3)11(9)22/h6-8H,4-5H2,1-3H3,(H,17,21)/t7-,8-/m1/s1
InChIKeyUAGXFXZJVIKGJJ-HTQZYQBOSA-N
MW334.30 g/mol
LogP-0.24
Rot. Bonds2

About (3S,4S)-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide

(3S,4S)-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 120963475) has the molecular formula C13H17F3N4O3 and a molecular weight of 334.30 g/mol. Its IUPAC name is (3S,4S)-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID120963475
Molecular FormulaC13H17F3N4O3
Molecular Weight334.30 g/mol
Exact Mass334.13
IUPAC Name(3S,4S)-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN1C[C@@H](C(F)(F)F)[C@H](C(=O)Nc2cn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C13H17F3N4O3/c1-18-4-7(8(5-18)13(14,15)16)10(21)17-9-6-19(2)12(23)20(3)11(9)22/h6-8H,4-5H2,1-3H3,(H,17,21)/t7-,8-/m1/s1
InChIKeyUAGXFXZJVIKGJJ-HTQZYQBOSA-N
XLogP-0.24
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(3S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pyridine-2-carboxamide
CID 167790925
(3S,4S)-N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120965333
(3S,4S)-N-(furan-3-ylmethyl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120963466
N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 136544131
(3S,4S)-1-(2-ethoxyethyl)-N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 122514518
(3S,4S)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120963403
(3S,4S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120963469
(3S,4R)-1-benzyl-N-[4-(dimethylamino)-2-methylphenyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 99797997
[(3R,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 177157260
(3S,4R)-1-benzyl-N-(1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 100726377
N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 99695437
(3S,4S)-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950842

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 120963475) is (3S,4S)-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide is CN1C[C@@H](C(F)(F)F)[C@H](C(=O)Nc2cn(C)c(=O)n(C)c2=O)C1.
What is the InChIKey of (3S,4S)-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is UAGXFXZJVIKGJJ-HTQZYQBOSA-N. The full InChI is InChI=1S/C13H17F3N4O3/c1-18-4-7(8(5-18)13(14,15)16)10(21)17-9-6-19(2)12(23)20(3)11(9)22/h6-8H,4-5H2,1-3H3,(H,17,21)/t7-,8-/m1/s1.
What are the key properties of (3S,4S)-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
(3S,4S)-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 334.30 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120963475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).