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

C20H19N3O2 — CID 15952933

IUPAC4-methyl-N-(4-methylphenyl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C(C)CNC4=O)cc1
InChIInChI=1S/C20H19N3O2/c1-11-3-6-14(7-4-11)22-19(24)13-5-8-16-15(9-13)17-12(2)10-21-20(25)18(17)23-16/h3-9,12,23H,10H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyMEILYTFCNYTEMN-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.58
Rot. Bonds2

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

4-methyl-N-(4-methylphenyl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (PubChem CID 15952933) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
PubChem CID15952933
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-methyl-N-(4-methylphenyl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C(C)CNC4=O)cc1
InChIInChI=1S/C20H19N3O2/c1-11-3-6-14(7-4-11)22-19(24)13-5-8-16-15(9-13)17-12(2)10-21-20(25)18(17)23-16/h3-9,12,23H,10H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyMEILYTFCNYTEMN-UHFFFAOYSA-N
XLogP3.58
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 46851093
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-chlorophenyl)-2-methyl-4-oxo-1H-quinoline-6-carboxamide
CID 29204953
N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 110861116
3-(3-aminopropyl)-5-[(4-methylphenyl)carbamoyl]-1H-indole-2-carboxylic acid
CID 25006601
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The IUPAC name of 4-methyl-N-(4-methylphenyl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (CID 15952933) is 4-methyl-N-(4-methylphenyl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is Cc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C(C)CNC4=O)cc1.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The InChIKey is MEILYTFCNYTEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-11-3-6-14(7-4-11)22-19(24)13-5-8-16-15(9-13)17-12(2)10-21-20(25)18(17)23-16/h3-9,12,23H,10H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 4-methyl-N-(4-methylphenyl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
4-methyl-N-(4-methylphenyl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.58, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylphenyl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is sourced from PubChem (CID 15952933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).