N-[2-(dimethylamino)ethyl]-5-[[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

About N-[2-(dimethylamino)ethyl]-5-[[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

N-[2-(dimethylamino)ethyl]-5-[[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 69106224) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-[[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name	N-[2-(dimethylamino)ethyl]-5-[[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID	69106224
Molecular Formula	C27H30N4O3
Molecular Weight	458.56 g/mol
Exact Mass	458.23
IUPAC Name	N-[2-(dimethylamino)ethyl]-5-[[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILES	COc1ccccc1-c1ccc2c(c1)NC(=O)C2=Cc1[nH]c(C)c(C(=O)NCCN(C)C)c1C
InChI	InChI=1S/C27H30N4O3/c1-16-22(29-17(2)25(16)27(33)28-12-13-31(3)4)15-21-20-11-10-18(14-23(20)30-26(21)32)19-8-6-7-9-24(19)34-5/h6-11,14-15,29H,12-13H2,1-5H3,(H,28,33)(H,30,32)
InChIKey	ABCCARPYLJPKBS-UHFFFAOYSA-N
XLogP	4.09
TPSA	86.46 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.56
LogP ≤ 5	4.09
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-(dimethylamino)ethyl]-5-[[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-5-[[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 69106224) is N-[2-(dimethylamino)ethyl]-5-[[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-[[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-[[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is COc1ccccc1-c1ccc2c(c1)NC(=O)C2=Cc1[nH]c(C)c(C(=O)NCCN(C)C)c1C.

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

The InChIKey is ABCCARPYLJPKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-16-22(29-17(2)25(16)27(33)28-12-13-31(3)4)15-21-20-11-10-18(14-23(20)30-26(21)32)19-8-6-7-9-24(19)34-5/h6-11,14-15,29H,12-13H2,1-5H3,(H,28,33)(H,30,32).

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

N-[2-(dimethylamino)ethyl]-5-[[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 4.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-5-[[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 69106224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).