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

C20H16N4O2 — CID 15951675

IUPACN-(3-cyanophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccc(C#N)c4)cc3c21
InChIInChI=1S/C20H16N4O2/c1-11-10-22-20(26)18-17(11)15-8-13(5-6-16(15)24-18)19(25)23-14-4-2-3-12(7-14)9-21/h2-8,11,24H,10H2,1H3,(H,22,26)(H,23,25)
InChIKeyBWMYAAGVSXHFLF-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.14
Rot. Bonds2

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

N-(3-cyanophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (PubChem CID 15951675) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
PubChem CID15951675
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-(3-cyanophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccc(C#N)c4)cc3c21
InChIInChI=1S/C20H16N4O2/c1-11-10-22-20(26)18-17(11)15-8-13(5-6-16(15)24-18)19(25)23-14-4-2-3-12(7-14)9-21/h2-8,11,24H,10H2,1H3,(H,22,26)(H,23,25)
InChIKeyBWMYAAGVSXHFLF-UHFFFAOYSA-N
XLogP3.14
TPSA97.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (CID 15951675) is N-(3-cyanophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is CC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccc(C#N)c4)cc3c21.
What is the InChIKey of N-(3-cyanophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The InChIKey is BWMYAAGVSXHFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-11-10-22-20(26)18-17(11)15-8-13(5-6-16(15)24-18)19(25)23-14-4-2-3-12(7-14)9-21/h2-8,11,24H,10H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-(3-cyanophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
N-(3-cyanophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 3.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is sourced from PubChem (CID 15951675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).