N-[4-[(3R)-2,5-dioxo-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrrolidin-1-yl]phenyl]acetamide

C23H22N4O3 — CID 29146918

IUPACN-[4-[(3R)-2,5-dioxo-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CCc4[nH]c5ccccc5c4C3)C2=O)cc1
InChIInChI=1S/C23H22N4O3/c1-14(28)24-15-6-8-16(9-7-15)27-22(29)12-21(23(27)30)26-11-10-20-18(13-26)17-4-2-3-5-19(17)25-20/h2-9,21,25H,10-13H2,1H3,(H,24,28)/t21-/m1/s1
InChIKeyFLBMJUNHENUBHM-OAQYLSRUSA-N
MW402.45 g/mol
LogP2.82
Rot. Bonds3

About N-[4-[(3R)-2,5-dioxo-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrrolidin-1-yl]phenyl]acetamide

N-[4-[(3R)-2,5-dioxo-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrrolidin-1-yl]phenyl]acetamide (PubChem CID 29146918) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[4-[(3R)-2,5-dioxo-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrrolidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3R)-2,5-dioxo-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrrolidin-1-yl]phenyl]acetamide
PubChem CID29146918
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-[4-[(3R)-2,5-dioxo-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CCc4[nH]c5ccccc5c4C3)C2=O)cc1
InChIInChI=1S/C23H22N4O3/c1-14(28)24-15-6-8-16(9-7-15)27-22(29)12-21(23(27)30)26-11-10-20-18(13-26)17-4-2-3-5-19(17)25-20/h2-9,21,25H,10-13H2,1H3,(H,24,28)/t21-/m1/s1
InChIKeyFLBMJUNHENUBHM-OAQYLSRUSA-N
XLogP2.82
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[(3R)-2,5-dioxo-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrrolidin-1-yl]phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-2,5-dioxo-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrrolidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(3R)-2,5-dioxo-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrrolidin-1-yl]phenyl]acetamide (CID 29146918) is N-[4-[(3R)-2,5-dioxo-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrrolidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3R)-2,5-dioxo-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrrolidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3R)-2,5-dioxo-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrrolidin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CCc4[nH]c5ccccc5c4C3)C2=O)cc1.
What is the InChIKey of N-[4-[(3R)-2,5-dioxo-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrrolidin-1-yl]phenyl]acetamide?
The InChIKey is FLBMJUNHENUBHM-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-14(28)24-15-6-8-16(9-7-15)27-22(29)12-21(23(27)30)26-11-10-20-18(13-26)17-4-2-3-5-19(17)25-20/h2-9,21,25H,10-13H2,1H3,(H,24,28)/t21-/m1/s1.
What are the key properties of N-[4-[(3R)-2,5-dioxo-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrrolidin-1-yl]phenyl]acetamide?
N-[4-[(3R)-2,5-dioxo-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrrolidin-1-yl]phenyl]acetamide has a molecular weight of 402.45 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-2,5-dioxo-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrrolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 29146918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).