(2R,4R)-2-N-[2-fluoro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide

C26H27FN4O4 — CID 71053821

IUPAC(2R,4R)-2-N-[2-fluoro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCO[C@@H]1C[C@H](C(=O)Nc2ccc(-n3ccc(C)cc3=O)cc2F)N(C(=O)Nc2ccc(C)cc2)C1
InChIInChI=1S/C26H27FN4O4/c1-16-4-6-18(7-5-16)28-26(34)31-15-20(35-3)14-23(31)25(33)29-22-9-8-19(13-21(22)27)30-11-10-17(2)12-24(30)32/h4-13,20,23H,14-15H2,1-3H3,(H,28,34)(H,29,33)/t20-,23-/m1/s1
InChIKeyJXOATXADKUXFQE-NFBKMPQASA-N
MW478.52 g/mol
LogP3.85
Rot. Bonds5

About (2R,4R)-2-N-[2-fluoro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide

(2R,4R)-2-N-[2-fluoro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 71053821) has the molecular formula C26H27FN4O4 and a molecular weight of 478.52 g/mol. Its IUPAC name is (2R,4R)-2-N-[2-fluoro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-2-N-[2-fluoro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID71053821
Molecular FormulaC26H27FN4O4
Molecular Weight478.52 g/mol
Exact Mass478.20
IUPAC Name(2R,4R)-2-N-[2-fluoro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCO[C@@H]1C[C@H](C(=O)Nc2ccc(-n3ccc(C)cc3=O)cc2F)N(C(=O)Nc2ccc(C)cc2)C1
InChIInChI=1S/C26H27FN4O4/c1-16-4-6-18(7-5-16)28-26(34)31-15-20(35-3)14-23(31)25(33)29-22-9-8-19(13-21(22)27)30-11-10-17(2)12-24(30)32/h4-13,20,23H,14-15H2,1-3H3,(H,28,34)(H,29,33)/t20-,23-/m1/s1
InChIKeyJXOATXADKUXFQE-NFBKMPQASA-N
XLogP3.85
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-N-[2-fluoro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-2-N-[2-fluoro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide (CID 71053821) is (2R,4R)-2-N-[2-fluoro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-2-N-[2-fluoro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-2-N-[2-fluoro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide is CO[C@@H]1C[C@H](C(=O)Nc2ccc(-n3ccc(C)cc3=O)cc2F)N(C(=O)Nc2ccc(C)cc2)C1.
What is the InChIKey of (2R,4R)-2-N-[2-fluoro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is JXOATXADKUXFQE-NFBKMPQASA-N. The full InChI is InChI=1S/C26H27FN4O4/c1-16-4-6-18(7-5-16)28-26(34)31-15-20(35-3)14-23(31)25(33)29-22-9-8-19(13-21(22)27)30-11-10-17(2)12-24(30)32/h4-13,20,23H,14-15H2,1-3H3,(H,28,34)(H,29,33)/t20-,23-/m1/s1.
What are the key properties of (2R,4R)-2-N-[2-fluoro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
(2R,4R)-2-N-[2-fluoro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 478.52 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-N-[2-fluoro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 71053821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).