5-[(Z)-[5-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide

C19H21N3O3 — CID 162432107

IUPAC5-[(Z)-[5-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide
SMILESCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(CCO)cc32)c1C
InChIInChI=1S/C19H21N3O3/c1-10-16(21-11(2)17(10)19(25)20-3)9-14-13-8-12(6-7-23)4-5-15(13)22-18(14)24/h4-5,8-9,21,23H,6-7H2,1-3H3,(H,20,25)(H,22,24)/b14-9-
InChIKeyPJLBWRHXJUBXPV-ZROIWOOFSA-N
MW339.40 g/mol
LogP2.02
Rot. Bonds4

About 5-[(Z)-[5-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide

5-[(Z)-[5-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide (PubChem CID 162432107) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[(Z)-[5-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[(Z)-[5-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide
PubChem CID162432107
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name5-[(Z)-[5-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide
SMILESCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(CCO)cc32)c1C
InChIInChI=1S/C19H21N3O3/c1-10-16(21-11(2)17(10)19(25)20-3)9-14-13-8-12(6-7-23)4-5-15(13)22-18(14)24/h4-5,8-9,21,23H,6-7H2,1-3H3,(H,20,25)(H,22,24)/b14-9-
InChIKeyPJLBWRHXJUBXPV-ZROIWOOFSA-N
XLogP2.02
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-2,4-dimethyl-5-[(E)-[5-(methylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
CID 25181823
5-[(Z)-[5-(1-butan-2-ylpyrazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide
CID 144728279
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-3-carboxamide
CID 5329109
5-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]-4-oxopentanoic acid
CID 153135347
N-(3-amino-3-oxopropyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 71035266
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-(2-hydroxyethylamino)butyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 67281070
3-[[3,5-dimethyl-4-(1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbonyl)-1H-pyrrol-2-yl]methylidene]-N-methyl-2-oxo-1H-indole-5-carboxamide
CID 123771401
N-[2-(2-cyanoethylamino)ethyl]-5-[(Z)-(5-cyano-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 59069505
(3R,5S)-5-[[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-3,5-dihydroxypentanoic acid
CID 91234831
5-[(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 67282170
N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;ethane
CID 143583029
(2S)-4-[[2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 143339704

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[5-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[(Z)-[5-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide (CID 162432107) is 5-[(Z)-[5-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[(Z)-[5-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[(Z)-[5-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide is CNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(CCO)cc32)c1C.
What is the InChIKey of 5-[(Z)-[5-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is PJLBWRHXJUBXPV-ZROIWOOFSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-10-16(21-11(2)17(10)19(25)20-3)9-14-13-8-12(6-7-23)4-5-15(13)22-18(14)24/h4-5,8-9,21,23H,6-7H2,1-3H3,(H,20,25)(H,22,24)/b14-9-.
What are the key properties of 5-[(Z)-[5-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide?
5-[(Z)-[5-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-[5-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 162432107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).