4-[[2-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-6,7-didehydroindol-3-yl]methyl]benzamide

C25H30N4O — CID 144880003

IUPAC4-[[2-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-6,7-didehydroindol-3-yl]methyl]benzamide
SMILESCc1c(Cc2ccc(C(N)=O)cc2)c2ccc#cc2n1CCN1CCCN(C)CC1
InChIInChI=1S/C25H30N4O/c1-19-23(18-20-8-10-21(11-9-20)25(26)30)22-6-3-4-7-24(22)29(19)17-16-28-13-5-12-27(2)14-15-28/h3,6,8-11H,5,12-18H2,1-2H3,(H2,26,30)
InChIKeyKWXNUKLTEYKLBB-UHFFFAOYSA-N
MW402.54 g/mol
LogP2.88
Rot. Bonds6

About 4-[[2-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-6,7-didehydroindol-3-yl]methyl]benzamide

4-[[2-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-6,7-didehydroindol-3-yl]methyl]benzamide (PubChem CID 144880003) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 4-[[2-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-6,7-didehydroindol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-6,7-didehydroindol-3-yl]methyl]benzamide
PubChem CID144880003
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name4-[[2-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-6,7-didehydroindol-3-yl]methyl]benzamide
SMILESCc1c(Cc2ccc(C(N)=O)cc2)c2ccc#cc2n1CCN1CCCN(C)CC1
InChIInChI=1S/C25H30N4O/c1-19-23(18-20-8-10-21(11-9-20)25(26)30)22-6-3-4-7-24(22)29(19)17-16-28-13-5-12-27(2)14-15-28/h3,6,8-11H,5,12-18H2,1-2H3,(H2,26,30)
InChIKeyKWXNUKLTEYKLBB-UHFFFAOYSA-N
XLogP2.88
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[2-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-6,7-didehydroindol-3-yl]methyl]benzamide with MolForge

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Related Compounds

N-hydroxy-4-[[2-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]methyl]benzamide
CID 118211713
4-[[1-[4-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]butyl]-2-methylindol-3-yl]methyl]benzamide;hydrate
CID 162335155
3-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62611633
2-methyl-5-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzamide
CID 142718219
1-methyl-4-[(4-methylphenyl)methyl]-1,4-diazepane;oxalic acid
CID 163327143
4-(4-methyl-1,4-diazepan-1-yl)butanamide
CID 175411586
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
4-(4-methylpiperazin-1-yl)oxybenzamide
CID 141124699
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone
CID 117368603
2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]acetic acid
CID 105345632
methyl 4-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzoate
CID 86300470
4-[[1-[3-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]propyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide
CID 118212106

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-6,7-didehydroindol-3-yl]methyl]benzamide?
The IUPAC name of 4-[[2-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-6,7-didehydroindol-3-yl]methyl]benzamide (CID 144880003) is 4-[[2-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-6,7-didehydroindol-3-yl]methyl]benzamide.
What is the SMILES notation for 4-[[2-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-6,7-didehydroindol-3-yl]methyl]benzamide?
The canonical SMILES for 4-[[2-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-6,7-didehydroindol-3-yl]methyl]benzamide is Cc1c(Cc2ccc(C(N)=O)cc2)c2ccc#cc2n1CCN1CCCN(C)CC1.
What is the InChIKey of 4-[[2-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-6,7-didehydroindol-3-yl]methyl]benzamide?
The InChIKey is KWXNUKLTEYKLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-19-23(18-20-8-10-21(11-9-20)25(26)30)22-6-3-4-7-24(22)29(19)17-16-28-13-5-12-27(2)14-15-28/h3,6,8-11H,5,12-18H2,1-2H3,(H2,26,30).
What are the key properties of 4-[[2-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-6,7-didehydroindol-3-yl]methyl]benzamide?
4-[[2-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-6,7-didehydroindol-3-yl]methyl]benzamide has a molecular weight of 402.54 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-6,7-didehydroindol-3-yl]methyl]benzamide is sourced from PubChem (CID 144880003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).