3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]-N-methyl-N-[3-(methylamino)propyl]propanamide

C23H30N4O2 — CID 69468918

IUPAC3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]-N-methyl-N-[3-(methylamino)propyl]propanamide
SMILESCNCCCN(C)C(=O)CCc1c(C)[nH]c(/C=C2\C(=O)Nc3ccccc32)c1C
InChIInChI=1S/C23H30N4O2/c1-15-17(10-11-22(28)27(4)13-7-12-24-3)16(2)25-21(15)14-19-18-8-5-6-9-20(18)26-23(19)29/h5-6,8-9,14,24-25H,7,10-13H2,1-4H3,(H,26,29)/b19-14-
InChIKeyDKNSOFNGKYCMIR-RGEXLXHISA-N
MW394.52 g/mol
LogP3.12
Rot. Bonds8

About 3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]-N-methyl-N-[3-(methylamino)propyl]propanamide

3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]-N-methyl-N-[3-(methylamino)propyl]propanamide (PubChem CID 69468918) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]-N-methyl-N-[3-(methylamino)propyl]propanamide.

Molecular Properties

Compound Name3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]-N-methyl-N-[3-(methylamino)propyl]propanamide
PubChem CID69468918
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]-N-methyl-N-[3-(methylamino)propyl]propanamide
SMILESCNCCCN(C)C(=O)CCc1c(C)[nH]c(/C=C2\C(=O)Nc3ccccc32)c1C
InChIInChI=1S/C23H30N4O2/c1-15-17(10-11-22(28)27(4)13-7-12-24-3)16(2)25-21(15)14-19-18-8-5-6-9-20(18)26-23(19)29/h5-6,8-9,14,24-25H,7,10-13H2,1-4H3,(H,26,29)/b19-14-
InChIKeyDKNSOFNGKYCMIR-RGEXLXHISA-N
XLogP3.12
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]-N-methyl-N-[3-(methylamino)propyl]propanamide 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

3-[2,4-dimethyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]propanamide
CID 69470938
3-[[3,5-dimethyl-4-(3-oxo-3-piperidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
CID 69471348
(3Z)-3-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 10587839
3-[2,4-dimethyl-5-[(Z)-(2-oxo-6-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
CID 5329150
3-[[3,5-dimethyl-4-(3-morpholin-4-ylpropyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
CID 54360731
ethyl 2,4-dimethyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylate
CID 5654
N-(2-acetamidoethyl)-2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
CID 59069574
3-[2,4-dimethyl-5-[(4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
CID 69032764
(3Z)-3-[[3-(2-hydroxyethyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
CID 59997448
N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide
CID 11738453
(3Z)-3-[[4-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-6-(4-hydroxy-3-methoxyphenyl)-1H-indol-2-one
CID 10126790
N-[2-(diethylamino)ethyl]-3-[2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]propanamide
CID 90452930

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]-N-methyl-N-[3-(methylamino)propyl]propanamide?
The IUPAC name of 3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]-N-methyl-N-[3-(methylamino)propyl]propanamide (CID 69468918) is 3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]-N-methyl-N-[3-(methylamino)propyl]propanamide.
What is the SMILES notation for 3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]-N-methyl-N-[3-(methylamino)propyl]propanamide?
The canonical SMILES for 3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]-N-methyl-N-[3-(methylamino)propyl]propanamide is CNCCCN(C)C(=O)CCc1c(C)[nH]c(/C=C2\C(=O)Nc3ccccc32)c1C.
What is the InChIKey of 3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]-N-methyl-N-[3-(methylamino)propyl]propanamide?
The InChIKey is DKNSOFNGKYCMIR-RGEXLXHISA-N. The full InChI is InChI=1S/C23H30N4O2/c1-15-17(10-11-22(28)27(4)13-7-12-24-3)16(2)25-21(15)14-19-18-8-5-6-9-20(18)26-23(19)29/h5-6,8-9,14,24-25H,7,10-13H2,1-4H3,(H,26,29)/b19-14-.
What are the key properties of 3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]-N-methyl-N-[3-(methylamino)propyl]propanamide?
3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]-N-methyl-N-[3-(methylamino)propyl]propanamide has a molecular weight of 394.52 g/mol, XLogP of 3.12, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]-N-methyl-N-[3-(methylamino)propyl]propanamide is sourced from PubChem (CID 69468918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).