N-[(3R,4S)-1-(3-fluoro-4-pyridinyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide

C15H23FN4O3S — CID 72871373

IUPACN-[(3R,4S)-1-(3-fluoro-4-pyridinyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide
SMILESCC(C)[C@H]1CN(c2ccncc2F)C[C@@H]1NC(=O)CNS(C)(=O)=O
InChIInChI=1S/C15H23FN4O3S/c1-10(2)11-8-20(14-4-5-17-6-12(14)16)9-13(11)19-15(21)7-18-24(3,22)23/h4-6,10-11,13,18H,7-9H2,1-3H3,(H,19,21)/t11-,13+/m1/s1
InChIKeyNSKMGLAKBKTSMF-YPMHNXCESA-N
MW358.44 g/mol
LogP0.35
Rot. Bonds6

About N-[(3R,4S)-1-(3-fluoro-4-pyridinyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide

N-[(3R,4S)-1-(3-fluoro-4-pyridinyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide (PubChem CID 72871373) has the molecular formula C15H23FN4O3S and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(3R,4S)-1-(3-fluoro-4-pyridinyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(3-fluoro-4-pyridinyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide
PubChem CID72871373
Molecular FormulaC15H23FN4O3S
Molecular Weight358.44 g/mol
Exact Mass358.15
IUPAC NameN-[(3R,4S)-1-(3-fluoro-4-pyridinyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide
SMILESCC(C)[C@H]1CN(c2ccncc2F)C[C@@H]1NC(=O)CNS(C)(=O)=O
InChIInChI=1S/C15H23FN4O3S/c1-10(2)11-8-20(14-4-5-17-6-12(14)16)9-13(11)19-15(21)7-18-24(3,22)23/h4-6,10-11,13,18H,7-9H2,1-3H3,(H,19,21)/t11-,13+/m1/s1
InChIKeyNSKMGLAKBKTSMF-YPMHNXCESA-N
XLogP0.35
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-1-(3-fluoro-2-pyridinyl)-4-propylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide
CID 72902143
N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide
CID 72882396
4-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-3-fluoropyridine
CID 133119156
N-[(3aR,5S,6S,7aS)-2-(3-fluoro-4-pyridinyl)-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]-2-(4-methylphenoxy)acetamide
CID 175645110
N-[(3aR,5S,6S,7aS)-2-(3-fluoro-4-pyridinyl)-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]-2-(1,3-benzodioxol-5-yl)acetamide
CID 172673705
N-[[1-(3-fluoropyridine-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 115645845
[(2S,6S)-4-(3-fluoro-4-pyridinyl)-6-methoxymorpholin-2-yl]methanol
CID 167838486
2-(methanesulfonamido)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 129240735
N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 133116687
(3R,4R)-1-(3-fluoro-4-pyridinyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 135118104
N-[(3S,4R)-4-propan-2-yl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide
CID 70748696
N-[(1S)-1-(2-chloro-3-fluorophenyl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide
CID 174195525

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(3-fluoro-4-pyridinyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide?
The IUPAC name of N-[(3R,4S)-1-(3-fluoro-4-pyridinyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide (CID 72871373) is N-[(3R,4S)-1-(3-fluoro-4-pyridinyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide.
What is the SMILES notation for N-[(3R,4S)-1-(3-fluoro-4-pyridinyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide?
The canonical SMILES for N-[(3R,4S)-1-(3-fluoro-4-pyridinyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide is CC(C)[C@H]1CN(c2ccncc2F)C[C@@H]1NC(=O)CNS(C)(=O)=O.
What is the InChIKey of N-[(3R,4S)-1-(3-fluoro-4-pyridinyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide?
The InChIKey is NSKMGLAKBKTSMF-YPMHNXCESA-N. The full InChI is InChI=1S/C15H23FN4O3S/c1-10(2)11-8-20(14-4-5-17-6-12(14)16)9-13(11)19-15(21)7-18-24(3,22)23/h4-6,10-11,13,18H,7-9H2,1-3H3,(H,19,21)/t11-,13+/m1/s1.
What are the key properties of N-[(3R,4S)-1-(3-fluoro-4-pyridinyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide?
N-[(3R,4S)-1-(3-fluoro-4-pyridinyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide has a molecular weight of 358.44 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(3-fluoro-4-pyridinyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide is sourced from PubChem (CID 72871373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).