2-[[1-[(1R)-1-[4-[2-(2,2-difluorocyclopropyl)ethynyl]phenyl]ethyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N,N-dimethylacetamide

C23H24F2N2O3 — CID 170763323

IUPAC2-[[1-[(1R)-1-[4-[2-(2,2-difluorocyclopropyl)ethynyl]phenyl]ethyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N,N-dimethylacetamide
SMILESCc1cc(OCC(=O)N(C)C)cc(=O)n1[C@H](C)c1ccc(C#CC2CC2(F)F)cc1
InChIInChI=1S/C23H24F2N2O3/c1-15-11-20(30-14-22(29)26(3)4)12-21(28)27(15)16(2)18-8-5-17(6-9-18)7-10-19-13-23(19,24)25/h5-6,8-9,11-12,16,19H,13-14H2,1-4H3/t16-,19?/m1/s1
InChIKeyGYBNEAAEJRMPRX-VTBWFHPJSA-N
MW414.45 g/mol
LogP3.24
Rot. Bonds5

About 2-[[1-[(1R)-1-[4-[2-(2,2-difluorocyclopropyl)ethynyl]phenyl]ethyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N,N-dimethylacetamide

2-[[1-[(1R)-1-[4-[2-(2,2-difluorocyclopropyl)ethynyl]phenyl]ethyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N,N-dimethylacetamide (PubChem CID 170763323) has the molecular formula C23H24F2N2O3 and a molecular weight of 414.45 g/mol. Its IUPAC name is 2-[[1-[(1R)-1-[4-[2-(2,2-difluorocyclopropyl)ethynyl]phenyl]ethyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[1-[(1R)-1-[4-[2-(2,2-difluorocyclopropyl)ethynyl]phenyl]ethyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N,N-dimethylacetamide
PubChem CID170763323
Molecular FormulaC23H24F2N2O3
Molecular Weight414.45 g/mol
Exact Mass414.18
IUPAC Name2-[[1-[(1R)-1-[4-[2-(2,2-difluorocyclopropyl)ethynyl]phenyl]ethyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N,N-dimethylacetamide
SMILESCc1cc(OCC(=O)N(C)C)cc(=O)n1[C@H](C)c1ccc(C#CC2CC2(F)F)cc1
InChIInChI=1S/C23H24F2N2O3/c1-15-11-20(30-14-22(29)26(3)4)12-21(28)27(15)16(2)18-8-5-17(6-9-18)7-10-19-13-23(19,24)25/h5-6,8-9,11-12,16,19H,13-14H2,1-4H3/t16-,19?/m1/s1
InChIKeyGYBNEAAEJRMPRX-VTBWFHPJSA-N
XLogP3.24
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(1R)-1-[4-[2-(2,2-difluorocyclopropyl)ethynyl]phenyl]ethyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[1-[(1R)-1-[4-[2-(2,2-difluorocyclopropyl)ethynyl]phenyl]ethyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N,N-dimethylacetamide (CID 170763323) is 2-[[1-[(1R)-1-[4-[2-(2,2-difluorocyclopropyl)ethynyl]phenyl]ethyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[1-[(1R)-1-[4-[2-(2,2-difluorocyclopropyl)ethynyl]phenyl]ethyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[1-[(1R)-1-[4-[2-(2,2-difluorocyclopropyl)ethynyl]phenyl]ethyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N,N-dimethylacetamide is Cc1cc(OCC(=O)N(C)C)cc(=O)n1[C@H](C)c1ccc(C#CC2CC2(F)F)cc1.
What is the InChIKey of 2-[[1-[(1R)-1-[4-[2-(2,2-difluorocyclopropyl)ethynyl]phenyl]ethyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N,N-dimethylacetamide?
The InChIKey is GYBNEAAEJRMPRX-VTBWFHPJSA-N. The full InChI is InChI=1S/C23H24F2N2O3/c1-15-11-20(30-14-22(29)26(3)4)12-21(28)27(15)16(2)18-8-5-17(6-9-18)7-10-19-13-23(19,24)25/h5-6,8-9,11-12,16,19H,13-14H2,1-4H3/t16-,19?/m1/s1.
What are the key properties of 2-[[1-[(1R)-1-[4-[2-(2,2-difluorocyclopropyl)ethynyl]phenyl]ethyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N,N-dimethylacetamide?
2-[[1-[(1R)-1-[4-[2-(2,2-difluorocyclopropyl)ethynyl]phenyl]ethyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N,N-dimethylacetamide has a molecular weight of 414.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(1R)-1-[4-[2-(2,2-difluorocyclopropyl)ethynyl]phenyl]ethyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N,N-dimethylacetamide is sourced from PubChem (CID 170763323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).