N'-(3-indol-1-ylpropanoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide

C24H24N4O2 — CID 27683785

IUPACN'-(3-indol-1-ylpropanoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)CCn2ccc3ccccc32)c(C)n1-c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-17-16-21(18(2)28(17)20-9-4-3-5-10-20)24(30)26-25-23(29)13-15-27-14-12-19-8-6-7-11-22(19)27/h3-12,14,16H,13,15H2,1-2H3,(H,25,29)(H,26,30)
InChIKeySFAUWLSFIWPGQH-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.90
Rot. Bonds5

About N'-(3-indol-1-ylpropanoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide

N'-(3-indol-1-ylpropanoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide (PubChem CID 27683785) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N'-(3-indol-1-ylpropanoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-indol-1-ylpropanoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
PubChem CID27683785
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN'-(3-indol-1-ylpropanoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)CCn2ccc3ccccc32)c(C)n1-c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-17-16-21(18(2)28(17)20-9-4-3-5-10-20)24(30)26-25-23(29)13-15-27-14-12-19-8-6-7-11-22(19)27/h3-12,14,16H,13,15H2,1-2H3,(H,25,29)(H,26,30)
InChIKeySFAUWLSFIWPGQH-UHFFFAOYSA-N
XLogP3.90
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(3-indol-1-ylpropanoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide 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

2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide
CID 40714000
2,5-dimethyl-N'-(4-phenoxybutanoyl)-1-phenylpyrrole-3-carbohydrazide
CID 40713988
N'-[3-(3,4-difluorophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 55616762
2,5-dimethyl-N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-1-phenylpyrrole-3-carbohydrazide
CID 55712838
N'-[3-(4-cyanophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 41388627
4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzamide
CID 27683580
N'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 27683540
4-ethoxy-N'-(3-indol-1-ylpropanoyl)-3-methoxybenzohydrazide
CID 9151418
methyl 4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzoate
CID 40714036
N'-(3-indol-1-ylpropanoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78816707
2-[[(2-indol-1-ylacetyl)amino]carbamoyl]benzoic acid
CID 17080252
N'-(3,4-difluorobenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 40673432

Frequently Asked Questions

What is the IUPAC name of N'-(3-indol-1-ylpropanoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
The IUPAC name of N'-(3-indol-1-ylpropanoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide (CID 27683785) is N'-(3-indol-1-ylpropanoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide.
What is the SMILES notation for N'-(3-indol-1-ylpropanoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
The canonical SMILES for N'-(3-indol-1-ylpropanoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)CCn2ccc3ccccc32)c(C)n1-c1ccccc1.
What is the InChIKey of N'-(3-indol-1-ylpropanoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
The InChIKey is SFAUWLSFIWPGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-17-16-21(18(2)28(17)20-9-4-3-5-10-20)24(30)26-25-23(29)13-15-27-14-12-19-8-6-7-11-22(19)27/h3-12,14,16H,13,15H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N'-(3-indol-1-ylpropanoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
N'-(3-indol-1-ylpropanoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide has a molecular weight of 400.48 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-indol-1-ylpropanoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide is sourced from PubChem (CID 27683785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).