5-[[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-methyl-1H-pyrrole-2-carboxamide

C29H31N5O3 — CID 76838151

IUPAC5-[[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1ccc(CN(CCc2c[nH]c3ccccc23)C2CCc3cc(C=CC(=O)NO)ccc32)[nH]1
InChIInChI=1S/C29H31N5O3/c1-30-29(36)26-11-9-22(32-26)18-34(15-14-21-17-31-25-5-3-2-4-23(21)25)27-12-8-20-16-19(6-10-24(20)27)7-13-28(35)33-37/h2-7,9-11,13,16-17,27,31-32,37H,8,12,14-15,18H2,1H3,(H,30,36)(H,33,35)
InChIKeyIRKGBTOFOJOWLK-UHFFFAOYSA-N
MW497.60 g/mol
LogP4.11
Rot. Bonds9

About 5-[[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-methyl-1H-pyrrole-2-carboxamide

5-[[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 76838151) has the molecular formula C29H31N5O3 and a molecular weight of 497.60 g/mol. Its IUPAC name is 5-[[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-[[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID76838151
Molecular FormulaC29H31N5O3
Molecular Weight497.60 g/mol
Exact Mass497.24
IUPAC Name5-[[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1ccc(CN(CCc2c[nH]c3ccccc23)C2CCc3cc(C=CC(=O)NO)ccc32)[nH]1
InChIInChI=1S/C29H31N5O3/c1-30-29(36)26-11-9-22(32-26)18-34(15-14-21-17-31-25-5-3-2-4-23(21)25)27-12-8-20-16-19(6-10-24(20)27)7-13-28(35)33-37/h2-7,9-11,13,16-17,27,31-32,37H,8,12,14-15,18H2,1H3,(H,30,36)(H,33,35)
InChIKeyIRKGBTOFOJOWLK-UHFFFAOYSA-N
XLogP4.11
TPSA113.25 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-methyl-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

5-[[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
CID 58613855
3-[1-[(5-chloro-1H-pyrrol-2-yl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 76838620
(E)-3-[1-[(4,5-dimethyl-1H-pyrrol-2-yl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 58613916
N-hydroxy-3-[1-[(2-hydroxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838938
(E)-N-hydroxy-3-[(1R)-1-[(4-hydroxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 87922900
N-hydroxy-3-[1-[(2-hydroxy-2-methylpropyl)-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838702
N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838721
(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58613601
3-[1-[(2,4-dimethyl-1H-pyrrol-3-yl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 76838255
(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58613820
(E)-3-[1-[(5-fluoro-2-hydroxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 58613521
(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[[4-(methylsulfamoyl)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58614330

Frequently Asked Questions

What is the IUPAC name of 5-[[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-[[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-methyl-1H-pyrrole-2-carboxamide (CID 76838151) is 5-[[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-[[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-[[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-methyl-1H-pyrrole-2-carboxamide is CNC(=O)c1ccc(CN(CCc2c[nH]c3ccccc23)C2CCc3cc(C=CC(=O)NO)ccc32)[nH]1.
What is the InChIKey of 5-[[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is IRKGBTOFOJOWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O3/c1-30-29(36)26-11-9-22(32-26)18-34(15-14-21-17-31-25-5-3-2-4-23(21)25)27-12-8-20-16-19(6-10-24(20)27)7-13-28(35)33-37/h2-7,9-11,13,16-17,27,31-32,37H,8,12,14-15,18H2,1H3,(H,30,36)(H,33,35).
What are the key properties of 5-[[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-methyl-1H-pyrrole-2-carboxamide?
5-[[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 4.11, 9 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 76838151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).