5-acetyl-N-(2-hydroxyethoxy)-2-(4-iodo-2-methylanilino)-1-methylpyrrole-3-carboxamide

C17H20IN3O4 — CID 25189177

IUPAC5-acetyl-N-(2-hydroxyethoxy)-2-(4-iodo-2-methylanilino)-1-methylpyrrole-3-carboxamide
SMILESCC(=O)c1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2C)n1C
InChIInChI=1S/C17H20IN3O4/c1-10-8-12(18)4-5-14(10)19-16-13(17(24)20-25-7-6-22)9-15(11(2)23)21(16)3/h4-5,8-9,19,22H,6-7H2,1-3H3,(H,20,24)
InChIKeyRAKMHGVLHGCFNI-UHFFFAOYSA-N
MW457.27 g/mol
LogP2.54
Rot. Bonds7

About 5-acetyl-N-(2-hydroxyethoxy)-2-(4-iodo-2-methylanilino)-1-methylpyrrole-3-carboxamide

5-acetyl-N-(2-hydroxyethoxy)-2-(4-iodo-2-methylanilino)-1-methylpyrrole-3-carboxamide (PubChem CID 25189177) has the molecular formula C17H20IN3O4 and a molecular weight of 457.27 g/mol. Its IUPAC name is 5-acetyl-N-(2-hydroxyethoxy)-2-(4-iodo-2-methylanilino)-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-(2-hydroxyethoxy)-2-(4-iodo-2-methylanilino)-1-methylpyrrole-3-carboxamide
PubChem CID25189177
Molecular FormulaC17H20IN3O4
Molecular Weight457.27 g/mol
Exact Mass457.05
IUPAC Name5-acetyl-N-(2-hydroxyethoxy)-2-(4-iodo-2-methylanilino)-1-methylpyrrole-3-carboxamide
SMILESCC(=O)c1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2C)n1C
InChIInChI=1S/C17H20IN3O4/c1-10-8-12(18)4-5-14(10)19-16-13(17(24)20-25-7-6-22)9-15(11(2)23)21(16)3/h4-5,8-9,19,22H,6-7H2,1-3H3,(H,20,24)
InChIKeyRAKMHGVLHGCFNI-UHFFFAOYSA-N
XLogP2.54
TPSA92.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.27
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-acetyl-N-(2-hydroxyethoxy)-2-(4-iodo-2-methylanilino)-1-methylpyrrole-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

5-acetyl-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrole-3-carboxamide
CID 24784164
5-acetyl-N-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxamide
CID 74402613
5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987
2-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carbonyl]amino]oxyethyl (2S)-2-aminopropanoate
CID 89307323
4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286611
5-acetyl-N-(1,3-dihydroxypropan-2-yloxy)-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxamide
CID 143666937
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 11213014
4,5-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10114957
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10224849
CID 89010523
CID 89010523
2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 59342492
5-iodo-2-(4-iodo-2-methylanilino)benzamide
CID 142657189

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(2-hydroxyethoxy)-2-(4-iodo-2-methylanilino)-1-methylpyrrole-3-carboxamide?
The IUPAC name of 5-acetyl-N-(2-hydroxyethoxy)-2-(4-iodo-2-methylanilino)-1-methylpyrrole-3-carboxamide (CID 25189177) is 5-acetyl-N-(2-hydroxyethoxy)-2-(4-iodo-2-methylanilino)-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-(2-hydroxyethoxy)-2-(4-iodo-2-methylanilino)-1-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-acetyl-N-(2-hydroxyethoxy)-2-(4-iodo-2-methylanilino)-1-methylpyrrole-3-carboxamide is CC(=O)c1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2C)n1C.
What is the InChIKey of 5-acetyl-N-(2-hydroxyethoxy)-2-(4-iodo-2-methylanilino)-1-methylpyrrole-3-carboxamide?
The InChIKey is RAKMHGVLHGCFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20IN3O4/c1-10-8-12(18)4-5-14(10)19-16-13(17(24)20-25-7-6-22)9-15(11(2)23)21(16)3/h4-5,8-9,19,22H,6-7H2,1-3H3,(H,20,24).
What are the key properties of 5-acetyl-N-(2-hydroxyethoxy)-2-(4-iodo-2-methylanilino)-1-methylpyrrole-3-carboxamide?
5-acetyl-N-(2-hydroxyethoxy)-2-(4-iodo-2-methylanilino)-1-methylpyrrole-3-carboxamide has a molecular weight of 457.27 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(2-hydroxyethoxy)-2-(4-iodo-2-methylanilino)-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 25189177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).