N-(2,5-dimethylpyrrol-1-yl)-3-(N-[3-[(2,5-dimethylpyrrol-1-yl)amino]-3-oxopropyl]-4-iodoanilino)propanamide

C24H30IN5O2 — CID 71652645

IUPACN-(2,5-dimethylpyrrol-1-yl)-3-(N-[3-[(2,5-dimethylpyrrol-1-yl)amino]-3-oxopropyl]-4-iodoanilino)propanamide
SMILESCc1ccc(C)n1NC(=O)CCN(CCC(=O)Nn1c(C)ccc1C)c1ccc(I)cc1
InChIInChI=1S/C24H30IN5O2/c1-17-5-6-18(2)29(17)26-23(31)13-15-28(22-11-9-21(25)10-12-22)16-14-24(32)27-30-19(3)7-8-20(30)4/h5-12H,13-16H2,1-4H3,(H,26,31)(H,27,32)
InChIKeyZXLULXMTQIJQKJ-UHFFFAOYSA-N
MW547.44 g/mol
LogP4.26
Rot. Bonds9

About N-(2,5-dimethylpyrrol-1-yl)-3-(N-[3-[(2,5-dimethylpyrrol-1-yl)amino]-3-oxopropyl]-4-iodoanilino)propanamide

N-(2,5-dimethylpyrrol-1-yl)-3-(N-[3-[(2,5-dimethylpyrrol-1-yl)amino]-3-oxopropyl]-4-iodoanilino)propanamide (PubChem CID 71652645) has the molecular formula C24H30IN5O2 and a molecular weight of 547.44 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)-3-(N-[3-[(2,5-dimethylpyrrol-1-yl)amino]-3-oxopropyl]-4-iodoanilino)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)-3-(N-[3-[(2,5-dimethylpyrrol-1-yl)amino]-3-oxopropyl]-4-iodoanilino)propanamide
PubChem CID71652645
Molecular FormulaC24H30IN5O2
Molecular Weight547.44 g/mol
Exact Mass547.14
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)-3-(N-[3-[(2,5-dimethylpyrrol-1-yl)amino]-3-oxopropyl]-4-iodoanilino)propanamide
SMILESCc1ccc(C)n1NC(=O)CCN(CCC(=O)Nn1c(C)ccc1C)c1ccc(I)cc1
InChIInChI=1S/C24H30IN5O2/c1-17-5-6-18(2)29(17)26-23(31)13-15-28(22-11-9-21(25)10-12-22)16-14-24(32)27-30-19(3)7-8-20(30)4/h5-12H,13-16H2,1-4H3,(H,26,31)(H,27,32)
InChIKeyZXLULXMTQIJQKJ-UHFFFAOYSA-N
XLogP4.26
TPSA71.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.44
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,5-dimethylpyrrol-1-yl)-3-(N-[3-[(2,5-dimethylpyrrol-1-yl)amino]-3-oxopropyl]-4-iodoanilino)propanamide 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-(2,5-dimethylpyrrol-1-yl)-3-(N-[3-[(2,5-dimethylpyrrol-1-yl)amino]-3-oxopropyl]-4-iodoanilino)propanamide?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-3-(N-[3-[(2,5-dimethylpyrrol-1-yl)amino]-3-oxopropyl]-4-iodoanilino)propanamide (CID 71652645) is N-(2,5-dimethylpyrrol-1-yl)-3-(N-[3-[(2,5-dimethylpyrrol-1-yl)amino]-3-oxopropyl]-4-iodoanilino)propanamide.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)-3-(N-[3-[(2,5-dimethylpyrrol-1-yl)amino]-3-oxopropyl]-4-iodoanilino)propanamide?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)-3-(N-[3-[(2,5-dimethylpyrrol-1-yl)amino]-3-oxopropyl]-4-iodoanilino)propanamide is Cc1ccc(C)n1NC(=O)CCN(CCC(=O)Nn1c(C)ccc1C)c1ccc(I)cc1.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)-3-(N-[3-[(2,5-dimethylpyrrol-1-yl)amino]-3-oxopropyl]-4-iodoanilino)propanamide?
The InChIKey is ZXLULXMTQIJQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30IN5O2/c1-17-5-6-18(2)29(17)26-23(31)13-15-28(22-11-9-21(25)10-12-22)16-14-24(32)27-30-19(3)7-8-20(30)4/h5-12H,13-16H2,1-4H3,(H,26,31)(H,27,32).
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)-3-(N-[3-[(2,5-dimethylpyrrol-1-yl)amino]-3-oxopropyl]-4-iodoanilino)propanamide?
N-(2,5-dimethylpyrrol-1-yl)-3-(N-[3-[(2,5-dimethylpyrrol-1-yl)amino]-3-oxopropyl]-4-iodoanilino)propanamide has a molecular weight of 547.44 g/mol, XLogP of 4.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)-3-(N-[3-[(2,5-dimethylpyrrol-1-yl)amino]-3-oxopropyl]-4-iodoanilino)propanamide is sourced from PubChem (CID 71652645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).