N-[2-(diethylamino)ethyl]-5-[(2-oxo-6-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide

C26H28N4O2 — CID 67281386

IUPACN-[2-(diethylamino)ethyl]-5-[(2-oxo-6-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(C=C2C(=O)Nc3cc(-c4ccccc4)ccc32)[nH]1
InChIInChI=1S/C26H28N4O2/c1-3-30(4-2)15-14-27-26(32)23-13-11-20(28-23)17-22-21-12-10-19(16-24(21)29-25(22)31)18-8-6-5-7-9-18/h5-13,16-17,28H,3-4,14-15H2,1-2H3,(H,27,32)(H,29,31)
InChIKeyOPEAZRNRPFVKOK-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.25
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-5-[(2-oxo-6-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide

N-[2-(diethylamino)ethyl]-5-[(2-oxo-6-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 67281386) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-[(2-oxo-6-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-[(2-oxo-6-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide
PubChem CID67281386
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-[2-(diethylamino)ethyl]-5-[(2-oxo-6-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(C=C2C(=O)Nc3cc(-c4ccccc4)ccc32)[nH]1
InChIInChI=1S/C26H28N4O2/c1-3-30(4-2)15-14-27-26(32)23-13-11-20(28-23)17-22-21-12-10-19(16-24(21)29-25(22)31)18-8-6-5-7-9-18/h5-13,16-17,28H,3-4,14-15H2,1-2H3,(H,27,32)(H,29,31)
InChIKeyOPEAZRNRPFVKOK-UHFFFAOYSA-N
XLogP4.25
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(diethylamino)propyl]-3-methyl-5-[(2-oxo-6-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide
CID 67281127
N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-6-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
CID 123510983
N-[2-(diethylamino)ethyl]-5-[(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxamide
CID 69202042
N-[2-(diethylamino)ethyl]-5-[(Z)-(6-ethyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 162667644
5-[(Z)-(6-bromo-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 162664768
N-[2-(diethylamino)ethyl]-4-(3-hydroxyphenyl)-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
CID 69174108
N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(2-oxo-6-propan-2-yl-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
CID 172799816
N-[2-(diethylamino)ethyl]-4-(3-ethoxyphenyl)-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
CID 69205009
N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(2-phenyl-1,3-thiazol-5-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
CID 123324881
N-[2-(diethylamino)ethyl]-4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide;N',N'-diethylethane-1,2-diamine;4-methyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxylic acid
CID 158742977
N-[2-(diethylamino)ethyl]-5-[(Z)-(5-isoquinolin-1-yl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 118696323
5-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-(diethylamino)ethyl]-N-methyl-1H-pyrrole-2-carboxamide;methane
CID 161316197

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-[(2-oxo-6-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-[(2-oxo-6-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide (CID 67281386) is N-[2-(diethylamino)ethyl]-5-[(2-oxo-6-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-[(2-oxo-6-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-[(2-oxo-6-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide is CCN(CC)CCNC(=O)c1ccc(C=C2C(=O)Nc3cc(-c4ccccc4)ccc32)[nH]1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-[(2-oxo-6-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is OPEAZRNRPFVKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-3-30(4-2)15-14-27-26(32)23-13-11-20(28-23)17-22-21-12-10-19(16-24(21)29-25(22)31)18-8-6-5-7-9-18/h5-13,16-17,28H,3-4,14-15H2,1-2H3,(H,27,32)(H,29,31).
What are the key properties of N-[2-(diethylamino)ethyl]-5-[(2-oxo-6-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide?
N-[2-(diethylamino)ethyl]-5-[(2-oxo-6-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.25, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-[(2-oxo-6-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 67281386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).