N-[1-oxo-3-phenyl-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-2-yl]furan-2-carboxamide

C25H23N3O3 — CID 46700233

IUPACN-[1-oxo-3-phenyl-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-2-yl]furan-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)N1CCc2[nH]c3ccccc3c2C1)c1ccco1
InChIInChI=1S/C25H23N3O3/c29-24(23-11-6-14-31-23)27-22(15-17-7-2-1-3-8-17)25(30)28-13-12-21-19(16-28)18-9-4-5-10-20(18)26-21/h1-11,14,22,26H,12-13,15-16H2,(H,27,29)
InChIKeyBUEHZAUFTZBZLV-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.69
Rot. Bonds5

About N-[1-oxo-3-phenyl-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-2-yl]furan-2-carboxamide

N-[1-oxo-3-phenyl-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-2-yl]furan-2-carboxamide (PubChem CID 46700233) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[1-oxo-3-phenyl-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-3-phenyl-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-2-yl]furan-2-carboxamide
PubChem CID46700233
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-[1-oxo-3-phenyl-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-2-yl]furan-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)N1CCc2[nH]c3ccccc3c2C1)c1ccco1
InChIInChI=1S/C25H23N3O3/c29-24(23-11-6-14-31-23)27-22(15-17-7-2-1-3-8-17)25(30)28-13-12-21-19(16-28)18-9-4-5-10-20(18)26-21/h1-11,14,22,26H,12-13,15-16H2,(H,27,29)
InChIKeyBUEHZAUFTZBZLV-UHFFFAOYSA-N
XLogP3.69
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[1-oxo-3-phenyl-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-2-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-3-methyl-1-oxo-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-2-yl]furan-2-carboxamide
CID 41268134
N-[1-oxo-3-phenyl-1-(4-phenylpiperidin-1-yl)propan-2-yl]furan-2-carboxamide
CID 55550533
N-[(2S,3R)-3-methyl-1-oxo-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pentan-2-yl]benzamide
CID 41268201
N-[(2R,3R)-3-methyl-1-oxo-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pentan-2-yl]benzamide
CID 41268205
2-chloro-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-2-yl]benzamide
CID 41268322
2-(furan-2-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 113081820
N-[1-[4-(cyclobutylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 166257021
N-[(2S)-1-(4-benzylsulfonylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 41138290
methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
CID 23883966
N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide
CID 110286471
N-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46559911
morpholin-4-yl(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 34675984

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-3-phenyl-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-oxo-3-phenyl-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-2-yl]furan-2-carboxamide (CID 46700233) is N-[1-oxo-3-phenyl-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-oxo-3-phenyl-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-oxo-3-phenyl-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-2-yl]furan-2-carboxamide is O=C(NC(Cc1ccccc1)C(=O)N1CCc2[nH]c3ccccc3c2C1)c1ccco1.
What is the InChIKey of N-[1-oxo-3-phenyl-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-2-yl]furan-2-carboxamide?
The InChIKey is BUEHZAUFTZBZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c29-24(23-11-6-14-31-23)27-22(15-17-7-2-1-3-8-17)25(30)28-13-12-21-19(16-28)18-9-4-5-10-20(18)26-21/h1-11,14,22,26H,12-13,15-16H2,(H,27,29).
What are the key properties of N-[1-oxo-3-phenyl-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-2-yl]furan-2-carboxamide?
N-[1-oxo-3-phenyl-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-2-yl]furan-2-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-3-phenyl-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46700233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).