2-cyclopentyl-N-methyl-2-[4-[(2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)methyl]phenyl]acetamide

C27H31N3O2 — CID 20662692

IUPAC2-cyclopentyl-N-methyl-2-[4-[(2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)methyl]phenyl]acetamide
SMILESCNC(=O)C(c1ccc(Cn2c3c(c4ccccc42)CCN(C)C3=O)cc1)C1CCCC1
InChIInChI=1S/C27H31N3O2/c1-28-26(31)24(19-7-3-4-8-19)20-13-11-18(12-14-20)17-30-23-10-6-5-9-21(23)22-15-16-29(2)27(32)25(22)30/h5-6,9-14,19,24H,3-4,7-8,15-17H2,1-2H3,(H,28,31)
InChIKeyYBERWRLORZAZMM-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.34
Rot. Bonds5

About 2-cyclopentyl-N-methyl-2-[4-[(2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)methyl]phenyl]acetamide

2-cyclopentyl-N-methyl-2-[4-[(2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)methyl]phenyl]acetamide (PubChem CID 20662692) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 2-cyclopentyl-N-methyl-2-[4-[(2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-methyl-2-[4-[(2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)methyl]phenyl]acetamide
PubChem CID20662692
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name2-cyclopentyl-N-methyl-2-[4-[(2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)methyl]phenyl]acetamide
SMILESCNC(=O)C(c1ccc(Cn2c3c(c4ccccc42)CCN(C)C3=O)cc1)C1CCCC1
InChIInChI=1S/C27H31N3O2/c1-28-26(31)24(19-7-3-4-8-19)20-13-11-18(12-14-20)17-30-23-10-6-5-9-21(23)22-15-16-29(2)27(32)25(22)30/h5-6,9-14,19,24H,3-4,7-8,15-17H2,1-2H3,(H,28,31)
InChIKeyYBERWRLORZAZMM-UHFFFAOYSA-N
XLogP4.34
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclopentyl-N-methyl-2-[4-[(2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)methyl]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 2-cyclopentyl-N-methyl-2-[4-[(2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-methyl-2-[4-[(2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)methyl]phenyl]acetamide (CID 20662692) is 2-cyclopentyl-N-methyl-2-[4-[(2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-methyl-2-[4-[(2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-methyl-2-[4-[(2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)methyl]phenyl]acetamide is CNC(=O)C(c1ccc(Cn2c3c(c4ccccc42)CCN(C)C3=O)cc1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-methyl-2-[4-[(2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)methyl]phenyl]acetamide?
The InChIKey is YBERWRLORZAZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-28-26(31)24(19-7-3-4-8-19)20-13-11-18(12-14-20)17-30-23-10-6-5-9-21(23)22-15-16-29(2)27(32)25(22)30/h5-6,9-14,19,24H,3-4,7-8,15-17H2,1-2H3,(H,28,31).
What are the key properties of 2-cyclopentyl-N-methyl-2-[4-[(2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)methyl]phenyl]acetamide?
2-cyclopentyl-N-methyl-2-[4-[(2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)methyl]phenyl]acetamide has a molecular weight of 429.56 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-methyl-2-[4-[(2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 20662692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).