1-acetyl-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide

C23H26N4O3 — CID 60524744

IUPAC1-acetyl-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NCc3cccc(NC(=O)N4CCCC4)c3)ccc21
InChIInChI=1S/C23H26N4O3/c1-16(28)27-12-9-18-14-19(7-8-21(18)27)22(29)24-15-17-5-4-6-20(13-17)25-23(30)26-10-2-3-11-26/h4-8,13-14H,2-3,9-12,15H2,1H3,(H,24,29)(H,25,30)
InChIKeyFQXORSBQIBLBHC-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.15
Rot. Bonds4

About 1-acetyl-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide

1-acetyl-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 60524744) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-acetyl-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
PubChem CID60524744
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-acetyl-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NCc3cccc(NC(=O)N4CCCC4)c3)ccc21
InChIInChI=1S/C23H26N4O3/c1-16(28)27-12-9-18-14-19(7-8-21(18)27)22(29)24-15-17-5-4-6-20(13-17)25-23(30)26-10-2-3-11-26/h4-8,13-14H,2-3,9-12,15H2,1H3,(H,24,29)(H,25,30)
InChIKeyFQXORSBQIBLBHC-UHFFFAOYSA-N
XLogP3.15
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 34499300
N-[3-[[(4-cyclohexylbenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 52690341
2-[3-[[3-(pyrrolidine-1-carbonylamino)phenyl]methylcarbamoyl]phenoxy]acetic acid
CID 119182068
1-acetyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 55806959
N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55862384
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 119743695
1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide
CID 43049282
1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 24550296
methyl 1-[N'-methyl-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111253392
N-[3-[[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55863137
2-acetyl-10-(2-methylpropyl)-N-[(3-piperidin-1-ylphenyl)methyl]-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxamide
CID 110067397
benzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate
CID 30581650

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide (CID 60524744) is 1-acetyl-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)NCc3cccc(NC(=O)N4CCCC4)c3)ccc21.
What is the InChIKey of 1-acetyl-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is FQXORSBQIBLBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16(28)27-12-9-18-14-19(7-8-21(18)27)22(29)24-15-17-5-4-6-20(13-17)25-23(30)26-10-2-3-11-26/h4-8,13-14H,2-3,9-12,15H2,1H3,(H,24,29)(H,25,30).
What are the key properties of 1-acetyl-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 60524744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).