N-[2-(diethylamino)ethoxy]-2,4-dimethyl-5-[(Z)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide

C23H30N4O3 — CID 23653671

IUPACN-[2-(diethylamino)ethoxy]-2,4-dimethyl-5-[(Z)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
SMILESCCN(CC)CCONC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3cc(C)ccc32)c1C
InChIInChI=1S/C23H30N4O3/c1-6-27(7-2)10-11-30-26-23(29)21-15(4)19(24-16(21)5)13-18-17-9-8-14(3)12-20(17)25-22(18)28/h8-9,12-13,24H,6-7,10-11H2,1-5H3,(H,25,28)(H,26,29)/b18-13-
InChIKeyBOUUQZGOEGOJLY-AQTBWJFISA-N
MW410.52 g/mol
LogP3.44
Rot. Bonds8

About N-[2-(diethylamino)ethoxy]-2,4-dimethyl-5-[(Z)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide

N-[2-(diethylamino)ethoxy]-2,4-dimethyl-5-[(Z)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide (PubChem CID 23653671) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[2-(diethylamino)ethoxy]-2,4-dimethyl-5-[(Z)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethoxy]-2,4-dimethyl-5-[(Z)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
PubChem CID23653671
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-[2-(diethylamino)ethoxy]-2,4-dimethyl-5-[(Z)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
SMILESCCN(CC)CCONC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3cc(C)ccc32)c1C
InChIInChI=1S/C23H30N4O3/c1-6-27(7-2)10-11-30-26-23(29)21-15(4)19(24-16(21)5)13-18-17-9-8-14(3)12-20(17)25-22(18)28/h8-9,12-13,24H,6-7,10-11H2,1-5H3,(H,25,28)(H,26,29)/b18-13-
InChIKeyBOUUQZGOEGOJLY-AQTBWJFISA-N
XLogP3.44
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-(diethylamino)ethoxy]-2,4-dimethyl-5-[(Z)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;ethyl 2,4-dimethyl-5-[(Z)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylate
CID 178003007
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]-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]-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]-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;(3S)-3-formyloxy-3-hydroxypropanoic acid
CID 157474566
5-[(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 67282170
N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;ethane
CID 143583029
3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-carboxylic acid
CID 123885936
5-[(Z)-(5-tert-butyl-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 126706116
5-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-morpholin-4-ylethoxy)-1H-pyrrole-3-carboxamide
CID 23653758
5-[(Z)-[6-[(3-cyanophenyl)carbamoylamino]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 176515823

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethoxy]-2,4-dimethyl-5-[(Z)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethoxy]-2,4-dimethyl-5-[(Z)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide (CID 23653671) is N-[2-(diethylamino)ethoxy]-2,4-dimethyl-5-[(Z)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethoxy]-2,4-dimethyl-5-[(Z)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethoxy]-2,4-dimethyl-5-[(Z)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide is CCN(CC)CCONC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3cc(C)ccc32)c1C.
What is the InChIKey of N-[2-(diethylamino)ethoxy]-2,4-dimethyl-5-[(Z)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is BOUUQZGOEGOJLY-AQTBWJFISA-N. The full InChI is InChI=1S/C23H30N4O3/c1-6-27(7-2)10-11-30-26-23(29)21-15(4)19(24-16(21)5)13-18-17-9-8-14(3)12-20(17)25-22(18)28/h8-9,12-13,24H,6-7,10-11H2,1-5H3,(H,25,28)(H,26,29)/b18-13-.
What are the key properties of N-[2-(diethylamino)ethoxy]-2,4-dimethyl-5-[(Z)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide?
N-[2-(diethylamino)ethoxy]-2,4-dimethyl-5-[(Z)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 3.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethoxy]-2,4-dimethyl-5-[(Z)-(6-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 23653671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).