(2S,4R)-1-acetyl-N-[(S)-(5-cyclobutyl-2-pyridinyl)-phenylmethyl]-4-fluoropyrrolidine-2-carboxamide

C23H26FN3O2 — CID 175878124

IUPAC(2S,4R)-1-acetyl-N-[(S)-(5-cyclobutyl-2-pyridinyl)-phenylmethyl]-4-fluoropyrrolidine-2-carboxamide
SMILESCC(=O)N1C[C@H](F)C[C@H]1C(=O)N[C@@H](c1ccccc1)c1ccc(C2CCC2)cn1
InChIInChI=1S/C23H26FN3O2/c1-15(28)27-14-19(24)12-21(27)23(29)26-22(17-6-3-2-4-7-17)20-11-10-18(13-25-20)16-8-5-9-16/h2-4,6-7,10-11,13,16,19,21-22H,5,8-9,12,14H2,1H3,(H,26,29)/t19-,21+,22+/m1/s1
InChIKeyVWHNWUBBMWGINU-HJNYFJLDSA-N
MW395.48 g/mol
LogP3.51
Rot. Bonds5

About (2S,4R)-1-acetyl-N-[(S)-(5-cyclobutyl-2-pyridinyl)-phenylmethyl]-4-fluoropyrrolidine-2-carboxamide

(2S,4R)-1-acetyl-N-[(S)-(5-cyclobutyl-2-pyridinyl)-phenylmethyl]-4-fluoropyrrolidine-2-carboxamide (PubChem CID 175878124) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is (2S,4R)-1-acetyl-N-[(S)-(5-cyclobutyl-2-pyridinyl)-phenylmethyl]-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-acetyl-N-[(S)-(5-cyclobutyl-2-pyridinyl)-phenylmethyl]-4-fluoropyrrolidine-2-carboxamide
PubChem CID175878124
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name(2S,4R)-1-acetyl-N-[(S)-(5-cyclobutyl-2-pyridinyl)-phenylmethyl]-4-fluoropyrrolidine-2-carboxamide
SMILESCC(=O)N1C[C@H](F)C[C@H]1C(=O)N[C@@H](c1ccccc1)c1ccc(C2CCC2)cn1
InChIInChI=1S/C23H26FN3O2/c1-15(28)27-14-19(24)12-21(27)23(29)26-22(17-6-3-2-4-7-17)20-11-10-18(13-25-20)16-8-5-9-16/h2-4,6-7,10-11,13,16,19,21-22H,5,8-9,12,14H2,1H3,(H,26,29)/t19-,21+,22+/m1/s1
InChIKeyVWHNWUBBMWGINU-HJNYFJLDSA-N
XLogP3.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,4R)-1-acetyl-N-[(S)-(5-cyclobutyl-2-pyridinyl)-phenylmethyl]-4-fluoropyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[[5-(3,3-difluorocyclobutyl)-2-pyridinyl]-phenylmethyl]-4-fluoro-1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 165139436
1-[2-(azetidine-1-carbonylamino)acetyl]-N-[[5-(3,3-difluorocyclobutyl)-2-pyridinyl]-phenylmethyl]-4-fluoropyrrolidine-2-carboxamide
CID 165140634
(2S,4R)-N-[(S)-[5-(3,3-difluorocyclobutyl)-2-pyridinyl]-phenylmethyl]-4-fluoro-1-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 165140537
[3-[(2S,4R)-4-fluoro-2-[[(S)-phenyl-(5-propan-2-yl-2-pyridinyl)methyl]carbamoyl]pyrrolidin-1-yl]-3-oxopropyl]-methylcarbamic acid
CID 175878247
(2S,4R)-1-[2-(benzimidazol-1-yl)acetyl]-N-[(S)-[5-(3,3-difluorocyclobutyl)-2-pyridinyl]-phenylmethyl]-4-fluoropyrrolidine-2-carboxamide
CID 165138419
(2S,4R)-1-[2-(carbamoylamino)acetyl]-4-fluoro-N-[(S)-phenyl-(5-propan-2-yl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 165140124
1-(1-acetylpiperidine-3-carbonyl)-4-fluoro-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165139225
(2S,4R)-1-[2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetyl]-4-fluoro-N-[(S)-phenyl-(5-propan-2-yl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 165138487
(2S,4R)-4-fluoro-1-[2-[(2-methylpyrimidin-4-yl)amino]acetyl]-N-[(S)-phenyl-(5-propan-2-yl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 165140009
(2S,4R)-1-[2-[5-(difluoromethyl)tetrazol-1-yl]acetyl]-4-fluoro-N-[(S)-phenyl-(5-propan-2-yl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 165139385
4-fluoro-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]-N-[phenyl-(5-propan-2-yl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 165139232
1-[2-[4-(dimethylamino)triazol-1-yl]acetyl]-4-fluoro-N-[phenyl-(5-propan-2-yl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 165140262

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-acetyl-N-[(S)-(5-cyclobutyl-2-pyridinyl)-phenylmethyl]-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-acetyl-N-[(S)-(5-cyclobutyl-2-pyridinyl)-phenylmethyl]-4-fluoropyrrolidine-2-carboxamide (CID 175878124) is (2S,4R)-1-acetyl-N-[(S)-(5-cyclobutyl-2-pyridinyl)-phenylmethyl]-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-acetyl-N-[(S)-(5-cyclobutyl-2-pyridinyl)-phenylmethyl]-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-acetyl-N-[(S)-(5-cyclobutyl-2-pyridinyl)-phenylmethyl]-4-fluoropyrrolidine-2-carboxamide is CC(=O)N1C[C@H](F)C[C@H]1C(=O)N[C@@H](c1ccccc1)c1ccc(C2CCC2)cn1.
What is the InChIKey of (2S,4R)-1-acetyl-N-[(S)-(5-cyclobutyl-2-pyridinyl)-phenylmethyl]-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is VWHNWUBBMWGINU-HJNYFJLDSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-15(28)27-14-19(24)12-21(27)23(29)26-22(17-6-3-2-4-7-17)20-11-10-18(13-25-20)16-8-5-9-16/h2-4,6-7,10-11,13,16,19,21-22H,5,8-9,12,14H2,1H3,(H,26,29)/t19-,21+,22+/m1/s1.
What are the key properties of (2S,4R)-1-acetyl-N-[(S)-(5-cyclobutyl-2-pyridinyl)-phenylmethyl]-4-fluoropyrrolidine-2-carboxamide?
(2S,4R)-1-acetyl-N-[(S)-(5-cyclobutyl-2-pyridinyl)-phenylmethyl]-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-acetyl-N-[(S)-(5-cyclobutyl-2-pyridinyl)-phenylmethyl]-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 175878124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).