N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide

C28H26FN5O3 — CID 139327442

IUPACN-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide
SMILESCc1cc(N2CC[C@@](C#N)(C3CC3)C2=O)cc(NC(=O)Cc2cc(F)cc(-c3ccc(=O)n(C)c3)c2)n1
InChIInChI=1S/C28H26FN5O3/c1-17-9-23(34-8-7-28(16-30,27(34)37)21-4-5-21)14-24(31-17)32-25(35)12-18-10-20(13-22(29)11-18)19-3-6-26(36)33(2)15-19/h3,6,9-11,13-15,21H,4-5,7-8,12H2,1-2H3,(H,31,32,35)/t28-/m1/s1
InChIKeyUMCDFNUQGJJMDR-MUUNZHRXSA-N
MW499.55 g/mol
LogP3.73
Rot. Bonds6

About N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide

N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide (PubChem CID 139327442) has the molecular formula C28H26FN5O3 and a molecular weight of 499.55 g/mol. Its IUPAC name is N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide
PubChem CID139327442
Molecular FormulaC28H26FN5O3
Molecular Weight499.55 g/mol
Exact Mass499.20
IUPAC NameN-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide
SMILESCc1cc(N2CC[C@@](C#N)(C3CC3)C2=O)cc(NC(=O)Cc2cc(F)cc(-c3ccc(=O)n(C)c3)c2)n1
InChIInChI=1S/C28H26FN5O3/c1-17-9-23(34-8-7-28(16-30,27(34)37)21-4-5-21)14-24(31-17)32-25(35)12-18-10-20(13-22(29)11-18)19-3-6-26(36)33(2)15-19/h3,6,9-11,13-15,21H,4-5,7-8,12H2,1-2H3,(H,31,32,35)/t28-/m1/s1
InChIKeyUMCDFNUQGJJMDR-MUUNZHRXSA-N
XLogP3.73
TPSA108.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.55
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide?
The IUPAC name of N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide (CID 139327442) is N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide.
What is the SMILES notation for N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide?
The canonical SMILES for N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide is Cc1cc(N2CC[C@@](C#N)(C3CC3)C2=O)cc(NC(=O)Cc2cc(F)cc(-c3ccc(=O)n(C)c3)c2)n1.
What is the InChIKey of N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide?
The InChIKey is UMCDFNUQGJJMDR-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H26FN5O3/c1-17-9-23(34-8-7-28(16-30,27(34)37)21-4-5-21)14-24(31-17)32-25(35)12-18-10-20(13-22(29)11-18)19-3-6-26(36)33(2)15-19/h3,6,9-11,13-15,21H,4-5,7-8,12H2,1-2H3,(H,31,32,35)/t28-/m1/s1.
What are the key properties of N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide?
N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide has a molecular weight of 499.55 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 139327442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).