N-[3-[3-[3-fluoro-5-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide

C35H37FN4O4 — CID 155288312

IUPACN-[3-[3-[3-fluoro-5-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOc1cc(-c2cccc(-c3cccc(NC(=O)c4cccn(C)c4=O)c3C)c2C)cc(F)c1CN(C)C[C@@H]1CCC(=O)N1
InChIInChI=1S/C35H37FN4O4/c1-21-25(23-17-30(36)29(32(18-23)44-5)20-39(3)19-24-14-15-33(41)37-24)9-6-10-26(21)27-11-7-13-31(22(27)2)38-34(42)28-12-8-16-40(4)35(28)43/h6-13,16-18,24H,14-15,19-20H2,1-5H3,(H,37,41)(H,38,42)/t24-/m0/s1
InChIKeyDRTQODREBDYOTI-DEOSSOPVSA-N
MW596.70 g/mol
LogP5.45
Rot. Bonds9

About N-[3-[3-[3-fluoro-5-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[3-[3-[3-fluoro-5-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 155288312) has the molecular formula C35H37FN4O4 and a molecular weight of 596.70 g/mol. Its IUPAC name is N-[3-[3-[3-fluoro-5-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[3-[3-fluoro-5-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID155288312
Molecular FormulaC35H37FN4O4
Molecular Weight596.70 g/mol
Exact Mass596.28
IUPAC NameN-[3-[3-[3-fluoro-5-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOc1cc(-c2cccc(-c3cccc(NC(=O)c4cccn(C)c4=O)c3C)c2C)cc(F)c1CN(C)C[C@@H]1CCC(=O)N1
InChIInChI=1S/C35H37FN4O4/c1-21-25(23-17-30(36)29(32(18-23)44-5)20-39(3)19-24-14-15-33(41)37-24)9-6-10-26(21)27-11-7-13-31(22(27)2)38-34(42)28-12-8-16-40(4)35(28)43/h6-13,16-18,24H,14-15,19-20H2,1-5H3,(H,37,41)(H,38,42)/t24-/m0/s1
InChIKeyDRTQODREBDYOTI-DEOSSOPVSA-N
XLogP5.45
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.70
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[3-[3-fluoro-5-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[3-fluoro-5-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[3-[3-[3-fluoro-5-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 155288312) is N-[3-[3-[3-fluoro-5-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[3-[3-[3-fluoro-5-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[3-[3-[3-fluoro-5-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide is COc1cc(-c2cccc(-c3cccc(NC(=O)c4cccn(C)c4=O)c3C)c2C)cc(F)c1CN(C)C[C@@H]1CCC(=O)N1.
What is the InChIKey of N-[3-[3-[3-fluoro-5-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is DRTQODREBDYOTI-DEOSSOPVSA-N. The full InChI is InChI=1S/C35H37FN4O4/c1-21-25(23-17-30(36)29(32(18-23)44-5)20-39(3)19-24-14-15-33(41)37-24)9-6-10-26(21)27-11-7-13-31(22(27)2)38-34(42)28-12-8-16-40(4)35(28)43/h6-13,16-18,24H,14-15,19-20H2,1-5H3,(H,37,41)(H,38,42)/t24-/m0/s1.
What are the key properties of N-[3-[3-[3-fluoro-5-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[3-[3-[3-fluoro-5-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 596.70 g/mol, XLogP of 5.45, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[3-fluoro-5-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 155288312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).