N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide

C15H17F2N3O3 — CID 154608579

IUPACN-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESCC(F)(F)CNC(=O)C(=O)[C@H]1CNC(=O)[C@@H]1Cc1ccccn1
InChIInChI=1S/C15H17F2N3O3/c1-15(16,17)8-20-14(23)12(21)11-7-19-13(22)10(11)6-9-4-2-3-5-18-9/h2-5,10-11H,6-8H2,1H3,(H,19,22)(H,20,23)/t10-,11+/m1/s1
InChIKeyQQRCYACDYDBQLF-MNOVXSKESA-N
MW325.32 g/mol
LogP0.33
Rot. Bonds6

About N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide

N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide (PubChem CID 154608579) has the molecular formula C15H17F2N3O3 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide
PubChem CID154608579
Molecular FormulaC15H17F2N3O3
Molecular Weight325.32 g/mol
Exact Mass325.12
IUPAC NameN-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESCC(F)(F)CNC(=O)C(=O)[C@H]1CNC(=O)[C@@H]1Cc1ccccn1
InChIInChI=1S/C15H17F2N3O3/c1-15(16,17)8-20-14(23)12(21)11-7-19-13(22)10(11)6-9-4-2-3-5-18-9/h2-5,10-11H,6-8H2,1H3,(H,19,22)(H,20,23)/t10-,11+/m1/s1
InChIKeyQQRCYACDYDBQLF-MNOVXSKESA-N
XLogP0.33
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 126851285
2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide
CID 4159002
2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide
CID 2164897
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyridine
CID 58318500
(3R,4S)-4-phenyl-3-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one
CID 124677286
1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 47134204
3-methyl-3-(methylamino)-1-pyridin-2-ylbutan-2-one
CID 116566539
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
(3S,4S)-N-(2-pyridin-2-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 68606626
2-N-(pyridin-2-ylmethyl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109136961
2-amino-2-methyl-N-(2-pyridin-2-ylethyl)pentanamide
CID 60846982

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide (CID 154608579) is N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide is CC(F)(F)CNC(=O)C(=O)[C@H]1CNC(=O)[C@@H]1Cc1ccccn1.
What is the InChIKey of N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is QQRCYACDYDBQLF-MNOVXSKESA-N. The full InChI is InChI=1S/C15H17F2N3O3/c1-15(16,17)8-20-14(23)12(21)11-7-19-13(22)10(11)6-9-4-2-3-5-18-9/h2-5,10-11H,6-8H2,1H3,(H,19,22)(H,20,23)/t10-,11+/m1/s1.
What are the key properties of N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide?
N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 325.32 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 154608579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).