N-[2-(diethylamino)ethyl]-5-[(Z)-[7-(2-methoxy-3-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

C28H33N5O3 — CID 118696413

About N-[2-(diethylamino)ethyl]-5-[(Z)-[7-(2-methoxy-3-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

N-[2-(diethylamino)ethyl]-5-[(Z)-[7-(2-methoxy-3-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 118696413) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-[(Z)-[7-(2-methoxy-3-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-5-[(Z)-[7-(2-methoxy-3-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
• PubChem CID: 118696413
• Molecular Formula: C28H33N5O3
• Molecular Weight: 487.60 g/mol
• Exact Mass: 487.26
• IUPAC Name: N-[2-(diethylamino)ethyl]-5-[(Z)-[7-(2-methoxy-3-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
• SMILES: CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3c2cccc3-c2cccnc2OC)c1C
• InChI: InChI=1S/C28H33N5O3/c1-6-33(7-2)15-14-29-27(35)24-17(3)23(31-18(24)4)16-22-20-11-8-10-19(25(20)32-26(22)34)21-12-9-13-30-28(21)36-5/h8-13,16,31H,6-7,14-15H2,1-5H3,(H,29,35)(H,32,34)/b22-16-
• InChIKey: PVYVBMSDSYXHMV-JWGURIENSA-N
• XLogP: 4.27
• TPSA: 99.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.60
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

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]-5-[(Z)-[7-(2-methoxy-3-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The IUPAC name of N-[2-(diethylamino)ethyl]-5-[(Z)-[7-(2-methoxy-3-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 118696413) is N-[2-(diethylamino)ethyl]-5-[(Z)-[7-(2-methoxy-3-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-[(Z)-[7-(2-methoxy-3-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The canonical SMILES for N-[2-(diethylamino)ethyl]-5-[(Z)-[7-(2-methoxy-3-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3c2cccc3-c2cccnc2OC)c1C.

What is the InChIKey of N-[2-(diethylamino)ethyl]-5-[(Z)-[7-(2-methoxy-3-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The InChIKey is PVYVBMSDSYXHMV-JWGURIENSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-6-33(7-2)15-14-29-27(35)24-17(3)23(31-18(24)4)16-22-20-11-8-10-19(25(20)32-26(22)34)21-12-9-13-30-28(21)36-5/h8-13,16,31H,6-7,14-15H2,1-5H3,(H,29,35)(H,32,34)/b22-16-.

What are the key properties of N-[2-(diethylamino)ethyl]-5-[(Z)-[7-(2-methoxy-3-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

N-[2-(diethylamino)ethyl]-5-[(Z)-[7-(2-methoxy-3-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 487.60 g/mol, XLogP of 4.27, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-5-[(Z)-[7-(2-methoxy-3-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 118696413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).