1-N,1-N-dimethyl-4-N-[(2-methylphenyl)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

C34H38N6O4 — CID 175335465

IUPAC1-N,1-N-dimethyl-4-N-[(2-methylphenyl)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
SMILESCc1ccccc1CN(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C34H38N6O4/c1-22-7-4-5-8-25(22)20-40(31(42)23-12-15-39(16-13-23)33(44)38(2)3)21-29(41)36-27-11-10-24-18-34(19-26(24)17-27)28-9-6-14-35-30(28)37-32(34)43/h4-11,14,17,23H,12-13,15-16,18-21H2,1-3H3,(H,36,41)(H,35,37,43)
InChIKeyWWWNZOWKFDDKBK-UHFFFAOYSA-N
MW594.72 g/mol
LogP3.74
Rot. Bonds6

About 1-N,1-N-dimethyl-4-N-[(2-methylphenyl)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,1-N-dimethyl-4-N-[(2-methylphenyl)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 175335465) has the molecular formula C34H38N6O4 and a molecular weight of 594.72 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-4-N-[(2-methylphenyl)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,1-N-dimethyl-4-N-[(2-methylphenyl)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 CID175335465
Molecular FormulaC34H38N6O4
Molecular Weight594.72 g/mol
Exact Mass594.30
IUPAC Name1-N,1-N-dimethyl-4-N-[(2-methylphenyl)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
SMILESCc1ccccc1CN(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C34H38N6O4/c1-22-7-4-5-8-25(22)20-40(31(42)23-12-15-39(16-13-23)33(44)38(2)3)21-29(41)36-27-11-10-24-18-34(19-26(24)17-27)28-9-6-14-35-30(28)37-32(34)43/h4-11,14,17,23H,12-13,15-16,18-21H2,1-3H3,(H,36,41)(H,35,37,43)
InChIKeyWWWNZOWKFDDKBK-UHFFFAOYSA-N
XLogP3.74
TPSA114.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.72
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-N,1-N-dimethyl-4-N-[(2-methylphenyl)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-(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
methyl-[4-[[2-(methylaminomethyl)phenyl]methyl-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]carbamoyl]piperidin-1-yl]-oxidosulfanium
CID 174276541
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
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
N-[[2-(azetidin-1-ylmethyl)phenyl]methyl]-1-methyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]cyclopropane-1-carboxamide
CID 142473415
N-[[2-[1-(dimethylamino)ethyl]phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
CID 142473507
methyl-[[2-[[[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]amino]methyl]phenyl]methyl]carbamic acid
CID 146571919
N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
CID 142473514
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
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
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-(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

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-4-N-[(2-methylphenyl)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,1-N-dimethyl-4-N-[(2-methylphenyl)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 175335465) is 1-N,1-N-dimethyl-4-N-[(2-methylphenyl)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,1-N-dimethyl-4-N-[(2-methylphenyl)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,1-N-dimethyl-4-N-[(2-methylphenyl)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 Cc1ccccc1CN(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)C1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of 1-N,1-N-dimethyl-4-N-[(2-methylphenyl)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 WWWNZOWKFDDKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N6O4/c1-22-7-4-5-8-25(22)20-40(31(42)23-12-15-39(16-13-23)33(44)38(2)3)21-29(41)36-27-11-10-24-18-34(19-26(24)17-27)28-9-6-14-35-30(28)37-32(34)43/h4-11,14,17,23H,12-13,15-16,18-21H2,1-3H3,(H,36,41)(H,35,37,43).
What are the key properties of 1-N,1-N-dimethyl-4-N-[(2-methylphenyl)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,1-N-dimethyl-4-N-[(2-methylphenyl)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 594.72 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-4-N-[(2-methylphenyl)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 175335465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).