N-[[2-(aminomethyl)phenyl]methyl]-2,2-dimethyl-N-[2-[(6-methyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]-2-oxoethyl]propanamide

C31H35N5O3 — CID 142473473

About N-[[2-(aminomethyl)phenyl]methyl]-2,2-dimethyl-N-[2-[(6-methyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]-2-oxoethyl]propanamide

N-[[2-(aminomethyl)phenyl]methyl]-2,2-dimethyl-N-[2-[(6-methyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]-2-oxoethyl]propanamide (PubChem CID 142473473) has the molecular formula C31H35N5O3 and a molecular weight of 525.65 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-2,2-dimethyl-N-[2-[(6-methyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]-2-oxoethyl]propanamide.

Molecular Properties

• Compound Name: N-[[2-(aminomethyl)phenyl]methyl]-2,2-dimethyl-N-[2-[(6-methyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]-2-oxoethyl]propanamide
• PubChem CID: 142473473
• Molecular Formula: C31H35N5O3
• Molecular Weight: 525.65 g/mol
• Exact Mass: 525.27
• IUPAC Name: N-[[2-(aminomethyl)phenyl]methyl]-2,2-dimethyl-N-[2-[(6-methyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]-2-oxoethyl]propanamide
• SMILES: Cc1cc2c(cc1NC(=O)CN(Cc1ccccc1CN)C(=O)C(C)(C)C)CC1(C2)C(=O)Nc2ncccc21
• InChI: InChI=1S/C31H35N5O3/c1-19-12-22-14-31(24-10-7-11-33-27(24)35-28(31)38)15-23(22)13-25(19)34-26(37)18-36(29(39)30(2,3)4)17-21-9-6-5-8-20(21)16-32/h5-13H,14-18,32H2,1-4H3,(H,34,37)(H,33,35,38)
• InChIKey: UNEYOEIATCCLQM-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 117.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.65
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-2,2-dimethyl-N-[2-[(6-methyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]-2-oxoethyl]propanamide?

The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-2,2-dimethyl-N-[2-[(6-methyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]-2-oxoethyl]propanamide (CID 142473473) is N-[[2-(aminomethyl)phenyl]methyl]-2,2-dimethyl-N-[2-[(6-methyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]-2-oxoethyl]propanamide.

What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-2,2-dimethyl-N-[2-[(6-methyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]-2-oxoethyl]propanamide?

The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-2,2-dimethyl-N-[2-[(6-methyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]-2-oxoethyl]propanamide is Cc1cc2c(cc1NC(=O)CN(Cc1ccccc1CN)C(=O)C(C)(C)C)CC1(C2)C(=O)Nc2ncccc21.

What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-2,2-dimethyl-N-[2-[(6-methyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]-2-oxoethyl]propanamide?

The InChIKey is UNEYOEIATCCLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O3/c1-19-12-22-14-31(24-10-7-11-33-27(24)35-28(31)38)15-23(22)13-25(19)34-26(37)18-36(29(39)30(2,3)4)17-21-9-6-5-8-20(21)16-32/h5-13H,14-18,32H2,1-4H3,(H,34,37)(H,33,35,38).

What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-2,2-dimethyl-N-[2-[(6-methyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]-2-oxoethyl]propanamide?

N-[[2-(aminomethyl)phenyl]methyl]-2,2-dimethyl-N-[2-[(6-methyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]-2-oxoethyl]propanamide has a molecular weight of 525.65 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(aminomethyl)phenyl]methyl]-2,2-dimethyl-N-[2-[(6-methyl-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 142473473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).