1-N,4-dimethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]piperidine-1,4-dicarboxamide

C35H41N7O4 — CID 167337134

IUPAC1-N,4-dimethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]piperidine-1,4-dicarboxamide
SMILESCNCc1ccccc1CN(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)C1(C)CCN(C(=O)NC)CC1
InChIInChI=1S/C35H41N7O4/c1-34(12-15-41(16-13-34)33(46)37-3)32(45)42(21-25-8-5-4-7-24(25)20-36-2)22-29(43)39-27-11-10-23-18-35(19-26(23)17-27)28-9-6-14-38-30(28)40-31(35)44/h4-11,14,17,36H,12-13,15-16,18-22H2,1-3H3,(H,37,46)(H,39,43)(H,38,40,44)
InChIKeyPEYSNUJUESCVSD-UHFFFAOYSA-N
MW623.76 g/mol
LogP3.20
Rot. Bonds8

About 1-N,4-dimethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]piperidine-1,4-dicarboxamide

1-N,4-dimethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]piperidine-1,4-dicarboxamide (PubChem CID 167337134) has the molecular formula C35H41N7O4 and a molecular weight of 623.76 g/mol. Its IUPAC name is 1-N,4-dimethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-dimethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]piperidine-1,4-dicarboxamide
PubChem CID167337134
Molecular FormulaC35H41N7O4
Molecular Weight623.76 g/mol
Exact Mass623.32
IUPAC Name1-N,4-dimethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]piperidine-1,4-dicarboxamide
SMILESCNCc1ccccc1CN(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)C1(C)CCN(C(=O)NC)CC1
InChIInChI=1S/C35H41N7O4/c1-34(12-15-41(16-13-34)33(46)37-3)32(45)42(21-25-8-5-4-7-24(25)20-36-2)22-29(43)39-27-11-10-23-18-35(19-26(23)17-27)28-9-6-14-38-30(28)40-31(35)44/h4-11,14,17,36H,12-13,15-16,18-22H2,1-3H3,(H,37,46)(H,39,43)(H,38,40,44)
InChIKeyPEYSNUJUESCVSD-UHFFFAOYSA-N
XLogP3.20
TPSA135.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.76
LogP ≤ 53.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-N,4-dimethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]piperidine-1,4-dicarboxamide with MolForge

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Related Compounds

1-acetyl-4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]piperidine-4-carboxamide
CID 146571956
4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 146612610
1-benzoyl-4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]piperidine-4-carboxamide
CID 146612425
1-acetyl-3-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]pyrrolidine-3-carboxamide
CID 146571921
1-(2-cyclopropylacetyl)-4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-4-carboxamide
CID 146612591
4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-phenylpiperidine-4-carboxamide
CID 146612622
4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide
CID 150519587
1-acetyl-4-methoxy-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-4-carboxamide
CID 146612905
4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 146612453
methyl 4-ethyl-4-[[2-(methylaminomethyl)phenyl]methyl-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]carbamoyl]piperidine-1-carboxylate
CID 146612930
ethyl 4-ethyl-4-[[2-(methylaminomethyl)phenyl]methyl-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]carbamoyl]piperidine-1-carboxylate
CID 146613535
1-acetyl-4-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-[(6-methyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
CID 146612707

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N,4-dimethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]piperidine-1,4-dicarboxamide (CID 167337134) is 1-N,4-dimethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-dimethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-dimethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]piperidine-1,4-dicarboxamide is CNCc1ccccc1CN(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)C1(C)CCN(C(=O)NC)CC1.
What is the InChIKey of 1-N,4-dimethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]piperidine-1,4-dicarboxamide?
The InChIKey is PEYSNUJUESCVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N7O4/c1-34(12-15-41(16-13-34)33(46)37-3)32(45)42(21-25-8-5-4-7-24(25)20-36-2)22-29(43)39-27-11-10-23-18-35(19-26(23)17-27)28-9-6-14-38-30(28)40-31(35)44/h4-11,14,17,36H,12-13,15-16,18-22H2,1-3H3,(H,37,46)(H,39,43)(H,38,40,44).
What are the key properties of 1-N,4-dimethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]piperidine-1,4-dicarboxamide?
1-N,4-dimethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]piperidine-1,4-dicarboxamide has a molecular weight of 623.76 g/mol, XLogP of 3.20, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-4-N-[[2-(methylaminomethyl)phenyl]methyl]-4-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 167337134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).