N-[1-[2-(dimethylamino)ethyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide

C26H25N5O3 — CID 22410110

IUPACN-[1-[2-(dimethylamino)ethyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)cn(CCN(C)C)c2c1
InChIInChI=1S/C26H25N5O3/c1-15(32)28-16-8-9-18-20(14-31(22(18)12-16)11-10-30(2)3)24-23(25(33)29-26(24)34)19-13-27-21-7-5-4-6-17(19)21/h4-9,12-14,27H,10-11H2,1-3H3,(H,28,32)(H,29,33,34)
InChIKeyMEQLPQYZFGRCPN-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.21
Rot. Bonds6

About N-[1-[2-(dimethylamino)ethyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide

N-[1-[2-(dimethylamino)ethyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide (PubChem CID 22410110) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide
PubChem CID22410110
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC NameN-[1-[2-(dimethylamino)ethyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)cn(CCN(C)C)c2c1
InChIInChI=1S/C26H25N5O3/c1-15(32)28-16-8-9-18-20(14-31(22(18)12-16)11-10-30(2)3)24-23(25(33)29-26(24)34)19-13-27-21-7-5-4-6-17(19)21/h4-9,12-14,27H,10-11H2,1-3H3,(H,28,32)(H,29,33,34)
InChIKeyMEQLPQYZFGRCPN-UHFFFAOYSA-N
XLogP3.21
TPSA99.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[1-[3-(diethylamino)propyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide
CID 22410287
3-[6-amino-1-[2-(dimethylamino)ethyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410652
N-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1-(3-piperidin-1-ylpropyl)indol-6-yl]acetamide
CID 22410654
3-[1-[2-(dimethylamino)ethyl]-6-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409890
3-[5-bromo-1-[2-(dimethylamino)ethyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409275
3-[1-[2-(dimethylamino)ethyl]-4-fluoroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410454
3-[1-[3-(diethylamino)propyl]-6-hydroxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410556
3-[6-hydroxy-1-[3-(methylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410250
3-(1H-indol-3-yl)-4-[6-methyl-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione
CID 22410599
3-[6-fluoro-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410487
3-[1-(2,3-dihydroxypropyl)-6-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410165
3-[1-[2-(dimethylamino)ethyl]-5-phenylmethoxyindol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 22409597

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide (CID 22410110) is N-[1-[2-(dimethylamino)ethyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide is CC(=O)Nc1ccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)cn(CCN(C)C)c2c1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide?
The InChIKey is MEQLPQYZFGRCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-15(32)28-16-8-9-18-20(14-31(22(18)12-16)11-10-30(2)3)24-23(25(33)29-26(24)34)19-13-27-21-7-5-4-6-17(19)21/h4-9,12-14,27H,10-11H2,1-3H3,(H,28,32)(H,29,33,34).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide?
N-[1-[2-(dimethylamino)ethyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide has a molecular weight of 455.52 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide is sourced from PubChem (CID 22410110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).