N-(4-acetylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide

C21H19N3O3 — CID 46851093

IUPACN-(4-acetylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C(C)CNC4=O)cc1
InChIInChI=1S/C21H19N3O3/c1-11-10-22-21(27)19-18(11)16-9-14(5-8-17(16)24-19)20(26)23-15-6-3-13(4-7-15)12(2)25/h3-9,11,24H,10H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyKVJGHEKMQHNHIG-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.47
Rot. Bonds3

About N-(4-acetylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide

N-(4-acetylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (PubChem CID 46851093) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
PubChem CID46851093
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-(4-acetylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C(C)CNC4=O)cc1
InChIInChI=1S/C21H19N3O3/c1-11-10-22-21(27)19-18(11)16-9-14(5-8-17(16)24-19)20(26)23-15-6-3-13(4-7-15)12(2)25/h3-9,11,24H,10H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyKVJGHEKMQHNHIG-UHFFFAOYSA-N
XLogP3.47
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-acetylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-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

4-methyl-N-(4-methylphenyl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15952933
N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15952932
N-(3-fluoro-4-hydroxyphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 58768545
N-[4-(3-hydroxypropylcarbamoyl)phenyl]-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15952249
N-(1,3-benzodioxol-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15951673
ethyl 3-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoate
CID 15951678
N-(4-carbamoylphenyl)-4,4-dimethyl-1-oxo-3,9-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide
CID 15951772
methyl 4-[(1-methyl-4-oxo-1,2,3,5-tetrahydropyrido[4,3-b]indole-8-carbonyl)amino]benzoate
CID 58768502
N-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474514
N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 110861116
5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid
CID 59365027
N-(4-chlorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide
CID 29204953

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (CID 46851093) is N-(4-acetylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C(C)CNC4=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The InChIKey is KVJGHEKMQHNHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-11-10-22-21(27)19-18(11)16-9-14(5-8-17(16)24-19)20(26)23-15-6-3-13(4-7-15)12(2)25/h3-9,11,24H,10H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of N-(4-acetylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
N-(4-acetylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is sourced from PubChem (CID 46851093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).