N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]acetamide

C22H25F2N3O5 — CID 166976027

IUPACN-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]acetamide
SMILESCOCCn1ccc(C)c(N2C[C@@H](c3c(F)cc(OC)cc3F)C(NC(C)=O)C2=O)c1=O
InChIInChI=1S/C22H25F2N3O5/c1-12-5-6-26(7-8-31-3)22(30)20(12)27-11-15(19(21(27)29)25-13(2)28)18-16(23)9-14(32-4)10-17(18)24/h5-6,9-10,15,19H,7-8,11H2,1-4H3,(H,25,28)/t15-,19?/m0/s1
InChIKeyFCAHTSLVQNCREO-FUKCDUGKSA-N
MW449.45 g/mol
LogP1.73
Rot. Bonds7

About N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]acetamide

N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]acetamide (PubChem CID 166976027) has the molecular formula C22H25F2N3O5 and a molecular weight of 449.45 g/mol. Its IUPAC name is N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]acetamide
PubChem CID166976027
Molecular FormulaC22H25F2N3O5
Molecular Weight449.45 g/mol
Exact Mass449.18
IUPAC NameN-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]acetamide
SMILESCOCCn1ccc(C)c(N2C[C@@H](c3c(F)cc(OC)cc3F)C(NC(C)=O)C2=O)c1=O
InChIInChI=1S/C22H25F2N3O5/c1-12-5-6-26(7-8-31-3)22(30)20(12)27-11-15(19(21(27)29)25-13(2)28)18-16(23)9-14(32-4)10-17(18)24/h5-6,9-10,15,19H,7-8,11H2,1-4H3,(H,25,28)/t15-,19?/m0/s1
InChIKeyFCAHTSLVQNCREO-FUKCDUGKSA-N
XLogP1.73
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.45
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]acetamide (CID 166976027) is N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]acetamide is COCCn1ccc(C)c(N2C[C@@H](c3c(F)cc(OC)cc3F)C(NC(C)=O)C2=O)c1=O.
What is the InChIKey of N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]acetamide?
The InChIKey is FCAHTSLVQNCREO-FUKCDUGKSA-N. The full InChI is InChI=1S/C22H25F2N3O5/c1-12-5-6-26(7-8-31-3)22(30)20(12)27-11-15(19(21(27)29)25-13(2)28)18-16(23)9-14(32-4)10-17(18)24/h5-6,9-10,15,19H,7-8,11H2,1-4H3,(H,25,28)/t15-,19?/m0/s1.
What are the key properties of N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]acetamide?
N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]acetamide has a molecular weight of 449.45 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 166976027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).