N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide

About N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide

N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide (PubChem CID 142164122) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name	N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
PubChem CID	142164122
Molecular Formula	C24H30N4O4
Molecular Weight	438.53 g/mol
Exact Mass	438.23
IUPAC Name	N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
SMILES	Cc1ccc2c(c1)/C(=C/c1[nH]c(C)c(C(=O)NCC(O)CN3CCOCC3)c1C)C(=O)N2
InChI	InChI=1S/C24H30N4O4/c1-14-4-5-20-18(10-14)19(23(30)27-20)11-21-15(2)22(16(3)26-21)24(31)25-12-17(29)13-28-6-8-32-9-7-28/h4-5,10-11,17,26,29H,6-9,12-13H2,1-3H3,(H,25,31)(H,27,30)/b19-11-
InChIKey	XFGHOAOCNFIHIB-ODLFYWEKSA-N
XLogP	1.86
TPSA	106.69 Å²
H-Bond Donors	4
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.53
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

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-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide?

The IUPAC name of N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide (CID 142164122) is N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide.

What is the SMILES notation for N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide?

The canonical SMILES for N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide is Cc1ccc2c(c1)/C(=C/c1[nH]c(C)c(C(=O)NCC(O)CN3CCOCC3)c1C)C(=O)N2.

What is the InChIKey of N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide?

The InChIKey is XFGHOAOCNFIHIB-ODLFYWEKSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-14-4-5-20-18(10-14)19(23(30)27-20)11-21-15(2)22(16(3)26-21)24(31)25-12-17(29)13-28-6-8-32-9-7-28/h4-5,10-11,17,26,29H,6-9,12-13H2,1-3H3,(H,25,31)(H,27,30)/b19-11-.

What are the key properties of N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide?

N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 1.86, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 142164122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).