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

C25H34N4O3 — CID 162662373

IUPACN-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-methoxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(CCOC)cc32)c1C
InChIInChI=1S/C25H34N4O3/c1-6-29(7-2)12-11-26-25(31)23-16(3)22(27-17(23)4)15-20-19-14-18(10-13-32-5)8-9-21(19)28-24(20)30/h8-9,14-15,27H,6-7,10-13H2,1-5H3,(H,26,31)(H,28,30)/b20-15-
InChIKeyGRRWNPDZXOTJNA-HKWRFOASSA-N
MW438.57 g/mol
LogP3.38
Rot. Bonds10

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

N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-methoxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 162662373) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-methoxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-methoxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID162662373
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC NameN-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-methoxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(CCOC)cc32)c1C
InChIInChI=1S/C25H34N4O3/c1-6-29(7-2)12-11-26-25(31)23-16(3)22(27-17(23)4)15-20-19-14-18(10-13-32-5)8-9-21(19)28-24(20)30/h8-9,14-15,27H,6-7,10-13H2,1-5H3,(H,26,31)(H,28,30)/b20-15-
InChIKeyGRRWNPDZXOTJNA-HKWRFOASSA-N
XLogP3.38
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-methoxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-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

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-methoxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-methoxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 162662373) is N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-methoxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-methoxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-methoxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(CCOC)cc32)c1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-methoxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is GRRWNPDZXOTJNA-HKWRFOASSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-6-29(7-2)12-11-26-25(31)23-16(3)22(27-17(23)4)15-20-19-14-18(10-13-32-5)8-9-21(19)28-24(20)30/h8-9,14-15,27H,6-7,10-13H2,1-5H3,(H,26,31)(H,28,30)/b20-15-.
What are the key properties of N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-methoxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-methoxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 3.38, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-methoxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 162662373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).