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-1-carboxamide

C32H36N6O3 — CID 142473371

IUPACN-[[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-1-carboxamide
SMILESCNCc1ccccc1CN(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)N1CCCCC1
InChIInChI=1S/C32H36N6O3/c1-33-19-23-8-3-4-9-24(23)20-38(31(41)37-14-5-2-6-15-37)21-28(39)35-26-12-11-22-17-32(18-25(22)16-26)27-10-7-13-34-29(27)36-30(32)40/h3-4,7-13,16,33H,2,5-6,14-15,17-21H2,1H3,(H,35,39)(H,34,36,40)
InChIKeyLPVHIQUNHTYNHL-UHFFFAOYSA-N
MW552.68 g/mol
LogP3.84
Rot. Bonds7

About 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-1-carboxamide

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-1-carboxamide (PubChem CID 142473371) has the molecular formula C32H36N6O3 and a molecular weight of 552.68 g/mol. Its IUPAC name is 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-1-carboxamide.

Molecular Properties

Compound NameN-[[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-1-carboxamide
PubChem CID142473371
Molecular FormulaC32H36N6O3
Molecular Weight552.68 g/mol
Exact Mass552.28
IUPAC NameN-[[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-1-carboxamide
SMILESCNCc1ccccc1CN(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)N1CCCCC1
InChIInChI=1S/C32H36N6O3/c1-33-19-23-8-3-4-9-24(23)20-38(31(41)37-14-5-2-6-15-37)21-28(39)35-26-12-11-22-17-32(18-25(22)16-26)27-10-7-13-34-29(27)36-30(32)40/h3-4,7-13,16,33H,2,5-6,14-15,17-21H2,1H3,(H,35,39)(H,34,36,40)
InChIKeyLPVHIQUNHTYNHL-UHFFFAOYSA-N
XLogP3.84
TPSA106.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.68
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 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-1-carboxamide with MolForge

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Related Compounds

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
2-[[2-(methylaminomethyl)phenyl]methyl-(propan-2-ylcarbamoyl)amino]-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
CID 135381653
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
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
2-[(2-methoxyacetyl)-[[2-(methylaminomethyl)phenyl]methyl]amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 142473667
1-(2-aminoacetyl)-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 135381914
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
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
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
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-(3,3-difluoroazetidine-1-carbonyl)-4-ethyl-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 157020512
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]oxolane-3-carboxamide
CID 142473367

Frequently Asked Questions

What is the IUPAC name of 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-1-carboxamide?
The IUPAC name of 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-1-carboxamide (CID 142473371) is 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-1-carboxamide.
What is the SMILES notation for 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-1-carboxamide?
The canonical SMILES for 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-1-carboxamide is CNCc1ccccc1CN(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)N1CCCCC1.
What is the InChIKey of 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-1-carboxamide?
The InChIKey is LPVHIQUNHTYNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6O3/c1-33-19-23-8-3-4-9-24(23)20-38(31(41)37-14-5-2-6-15-37)21-28(39)35-26-12-11-22-17-32(18-25(22)16-26)27-10-7-13-34-29(27)36-30(32)40/h3-4,7-13,16,33H,2,5-6,14-15,17-21H2,1H3,(H,35,39)(H,34,36,40).
What are the key properties of 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-1-carboxamide?
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-1-carboxamide has a molecular weight of 552.68 g/mol, XLogP of 3.84, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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-1-carboxamide is sourced from PubChem (CID 142473371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).