N-[2-(diethylamino)ethyl]-5-[(Z)-[7-(1H-indol-6-yl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

About N-[2-(diethylamino)ethyl]-5-[(Z)-[7-(1H-indol-6-yl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

N-[2-(diethylamino)ethyl]-5-[(Z)-[7-(1H-indol-6-yl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 118696412) has the molecular formula C30H33N5O2 and a molecular weight of 495.63 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-[(Z)-[7-(1H-indol-6-yl)-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-(1H-indol-6-yl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID	118696412
Molecular Formula	C30H33N5O2
Molecular Weight	495.63 g/mol
Exact Mass	495.26
IUPAC Name	N-[2-(diethylamino)ethyl]-5-[(Z)-[7-(1H-indol-6-yl)-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-c2ccc3cc[nH]c3c2)c1C
InChI	InChI=1S/C30H33N5O2/c1-5-35(6-2)15-14-32-30(37)27-18(3)25(33-19(27)4)17-24-23-9-7-8-22(28(23)34-29(24)36)21-11-10-20-12-13-31-26(20)16-21/h7-13,16-17,31,33H,5-6,14-15H2,1-4H3,(H,32,37)(H,34,36)/b24-17-
InChIKey	DICLTDJDTYBWRP-ULJHMMPZSA-N
XLogP	5.34
TPSA	93.02 Å²
H-Bond Donors	4
H-Bond Acceptors	3
Rotatable Bonds	8
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.63
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-[(Z)-[7-(1H-indol-6-yl)-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-(1H-indol-6-yl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 118696412) is N-[2-(diethylamino)ethyl]-5-[(Z)-[7-(1H-indol-6-yl)-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-(1H-indol-6-yl)-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-(1H-indol-6-yl)-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-c2ccc3cc[nH]c3c2)c1C.

What is the InChIKey of N-[2-(diethylamino)ethyl]-5-[(Z)-[7-(1H-indol-6-yl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The InChIKey is DICLTDJDTYBWRP-ULJHMMPZSA-N. The full InChI is InChI=1S/C30H33N5O2/c1-5-35(6-2)15-14-32-30(37)27-18(3)25(33-19(27)4)17-24-23-9-7-8-22(28(23)34-29(24)36)21-11-10-20-12-13-31-26(20)16-21/h7-13,16-17,31,33H,5-6,14-15H2,1-4H3,(H,32,37)(H,34,36)/b24-17-.

What are the key properties of N-[2-(diethylamino)ethyl]-5-[(Z)-[7-(1H-indol-6-yl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

N-[2-(diethylamino)ethyl]-5-[(Z)-[7-(1H-indol-6-yl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 495.63 g/mol, XLogP of 5.34, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-5-[(Z)-[7-(1H-indol-6-yl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 118696412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).