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

C32H34N4O3 — CID 123729330

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

N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide (PubChem CID 123729330) has the molecular formula C32H34N4O3 and a molecular weight of 522.65 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
• PubChem CID: 123729330
• Molecular Formula: C32H34N4O3
• Molecular Weight: 522.65 g/mol
• Exact Mass: 522.26
• IUPAC Name: N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
• SMILES: CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(-c4ccc(-c5ccccc5)o4)cc32)c1C
• InChI: InChI=1S/C32H34N4O3/c1-5-36(6-2)17-16-33-32(38)30-20(3)27(34-21(30)4)19-25-24-18-23(12-13-26(24)35-31(25)37)29-15-14-28(39-29)22-10-8-7-9-11-22/h7-15,18-19,34H,5-6,16-17H2,1-4H3,(H,33,38)(H,35,37)
• InChIKey: INIZIXMSCYUGHA-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 90.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.65
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?

The IUPAC name of N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide (CID 123729330) is N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?

The canonical SMILES for N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide is CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(-c4ccc(-c5ccccc5)o4)cc32)c1C.

What is the InChIKey of N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?

The InChIKey is INIZIXMSCYUGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O3/c1-5-36(6-2)17-16-33-32(38)30-20(3)27(34-21(30)4)19-25-24-18-23(12-13-26(24)35-31(25)37)29-15-14-28(39-29)22-10-8-7-9-11-22/h7-15,18-19,34H,5-6,16-17H2,1-4H3,(H,33,38)(H,35,37).

What are the key properties of N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?

N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 522.65 g/mol, XLogP of 6.12, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 123729330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).