N,N-diethyl-9-methyl-1-oxo-3,4-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide

C17H21N3O2 — CID 3075520

IUPACN,N-diethyl-9-methyl-1-oxo-3,4-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)c1c(n2C)C(=O)NCC1
InChIInChI=1S/C17H21N3O2/c1-4-20(5-2)17(22)11-6-7-14-13(10-11)12-8-9-18-16(21)15(12)19(14)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,21)
InChIKeyHARYPGYPMQNJQP-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.95
Rot. Bonds3

About N,N-diethyl-9-methyl-1-oxo-3,4-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide

N,N-diethyl-9-methyl-1-oxo-3,4-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide (PubChem CID 3075520) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N,N-diethyl-9-methyl-1-oxo-3,4-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-9-methyl-1-oxo-3,4-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide
PubChem CID3075520
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN,N-diethyl-9-methyl-1-oxo-3,4-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)c1c(n2C)C(=O)NCC1
InChIInChI=1S/C17H21N3O2/c1-4-20(5-2)17(22)11-6-7-14-13(10-11)12-8-9-18-16(21)15(12)19(14)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,21)
InChIKeyHARYPGYPMQNJQP-UHFFFAOYSA-N
XLogP1.95
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
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,N-diethyl-9-methyl-1-oxo-3,4-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide?
The IUPAC name of N,N-diethyl-9-methyl-1-oxo-3,4-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide (CID 3075520) is N,N-diethyl-9-methyl-1-oxo-3,4-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide.
What is the SMILES notation for N,N-diethyl-9-methyl-1-oxo-3,4-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide?
The canonical SMILES for N,N-diethyl-9-methyl-1-oxo-3,4-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide is CCN(CC)C(=O)c1ccc2c(c1)c1c(n2C)C(=O)NCC1.
What is the InChIKey of N,N-diethyl-9-methyl-1-oxo-3,4-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide?
The InChIKey is HARYPGYPMQNJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-4-20(5-2)17(22)11-6-7-14-13(10-11)12-8-9-18-16(21)15(12)19(14)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,21).
What are the key properties of N,N-diethyl-9-methyl-1-oxo-3,4-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide?
N,N-diethyl-9-methyl-1-oxo-3,4-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-9-methyl-1-oxo-3,4-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide is sourced from PubChem (CID 3075520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).