2,2-difluoro-N-[(2R)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide

C13H15F2N3O3 — CID 138725407

IUPAC2,2-difluoro-N-[(2R)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide
SMILESCOc1cc([C@H]2NC(=O)CC2NC(=O)C(C)(F)F)ccn1
InChIInChI=1S/C13H15F2N3O3/c1-13(14,15)12(20)17-8-6-9(19)18-11(8)7-3-4-16-10(5-7)21-2/h3-5,8,11H,6H2,1-2H3,(H,17,20)(H,18,19)/t8?,11-/m1/s1
InChIKeyZICNNIQLLCBRLZ-QHDYGNBISA-N
MW299.28 g/mol
LogP0.79
Rot. Bonds4

About 2,2-difluoro-N-[(2R)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide

2,2-difluoro-N-[(2R)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide (PubChem CID 138725407) has the molecular formula C13H15F2N3O3 and a molecular weight of 299.28 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2R)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(2R)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide
PubChem CID138725407
Molecular FormulaC13H15F2N3O3
Molecular Weight299.28 g/mol
Exact Mass299.11
IUPAC Name2,2-difluoro-N-[(2R)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide
SMILESCOc1cc([C@H]2NC(=O)CC2NC(=O)C(C)(F)F)ccn1
InChIInChI=1S/C13H15F2N3O3/c1-13(14,15)12(20)17-8-6-9(19)18-11(8)7-3-4-16-10(5-7)21-2/h3-5,8,11H,6H2,1-2H3,(H,17,20)(H,18,19)/t8?,11-/m1/s1
InChIKeyZICNNIQLLCBRLZ-QHDYGNBISA-N
XLogP0.79
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-N-[(2S,3R)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
CID 138684556
(2S,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 96899124
N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 138684907
[2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamic acid
CID 138684995
2-amino-2-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 62997542
2-methoxy-N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 59355726
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]pyrrolidin-2-one
CID 107529441
tert-butyl 3-[[N-[(2-methoxy-4-pyridinyl)methyl]-N'-methylcarbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109467323
N-cyclohexyl-2-methoxypyridine-4-carboxamide
CID 110848962
acetic acid;2-methoxy-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridine-4-carboxamide
CID 154910821
N-[[4-chloro-3-[4-(6-methoxy-3-pyridinyl)-6-oxo-1,3-diazinan-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
CID 155883278

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2R)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide?
The IUPAC name of 2,2-difluoro-N-[(2R)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide (CID 138725407) is 2,2-difluoro-N-[(2R)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[(2R)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[(2R)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide is COc1cc([C@H]2NC(=O)CC2NC(=O)C(C)(F)F)ccn1.
What is the InChIKey of 2,2-difluoro-N-[(2R)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide?
The InChIKey is ZICNNIQLLCBRLZ-QHDYGNBISA-N. The full InChI is InChI=1S/C13H15F2N3O3/c1-13(14,15)12(20)17-8-6-9(19)18-11(8)7-3-4-16-10(5-7)21-2/h3-5,8,11H,6H2,1-2H3,(H,17,20)(H,18,19)/t8?,11-/m1/s1.
What are the key properties of 2,2-difluoro-N-[(2R)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide?
2,2-difluoro-N-[(2R)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide has a molecular weight of 299.28 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(2R)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 138725407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).