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

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

N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(pyrrolidine-1-carbonyl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide (PubChem CID 77436484) has the molecular formula C27H35N5O3 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(pyrrolidine-1-carbonyl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name	N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(pyrrolidine-1-carbonyl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
PubChem CID	77436484
Molecular Formula	C27H35N5O3
Molecular Weight	477.61 g/mol
Exact Mass	477.27
IUPAC Name	N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(pyrrolidine-1-carbonyl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
SMILES	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(C(=O)N4CCCC4)cc32)c1C
InChI	InChI=1S/C27H35N5O3/c1-5-31(6-2)14-11-28-26(34)24-17(3)23(29-18(24)4)16-21-20-15-19(9-10-22(20)30-25(21)33)27(35)32-12-7-8-13-32/h9-10,15-16,29H,5-8,11-14H2,1-4H3,(H,28,34)(H,30,33)
InChIKey	HAZLLQNENPSGOB-UHFFFAOYSA-N
XLogP	3.43
TPSA	97.54 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	8
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.61
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

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]-2,4-dimethyl-5-[[2-oxo-5-(pyrrolidine-1-carbonyl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?

The IUPAC name of N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(pyrrolidine-1-carbonyl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide (CID 77436484) is N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(pyrrolidine-1-carbonyl)-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-(pyrrolidine-1-carbonyl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?

The canonical SMILES for N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(pyrrolidine-1-carbonyl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide is CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(C(=O)N4CCCC4)cc32)c1C.

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

The InChIKey is HAZLLQNENPSGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O3/c1-5-31(6-2)14-11-28-26(34)24-17(3)23(29-18(24)4)16-21-20-15-19(9-10-22(20)30-25(21)33)27(35)32-12-7-8-13-32/h9-10,15-16,29H,5-8,11-14H2,1-4H3,(H,28,34)(H,30,33).

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

N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(pyrrolidine-1-carbonyl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 3.43, 8 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-(pyrrolidine-1-carbonyl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 77436484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).